Publications – Solar Technologies go Hybrid

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21.	Sirotti, Elise; Wagner, Laura I; Jiang, Chang-Ming; Eichhorn, Johanna; Munnik, Frans; Streibel, Verena; Schilcher, Maximilian J; März, Benjamin; Hegner, Franziska S; Kuhl, Matthias; Höldrich, Theresa; Müller-Caspary, Knut; Egger, David A; Sharp, Ian D: Beyond Cation Disorder: Site Symmetry-Tuned Optoelectronic Properties of the Ternary Nitride Photoabsorber ZrTaN3. In: Advanced Energy Materials, 2024, ISSN: 16146832, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Sirotti2024b, title = {Beyond Cation Disorder: Site Symmetry-Tuned Optoelectronic Properties of the Ternary Nitride Photoabsorber ZrTaN3}, author = {Elise Sirotti and Laura I Wagner and Chang-Ming Jiang and Johanna Eichhorn and Frans Munnik and Verena Streibel and Maximilian J Schilcher and Benjamin März and Franziska S Hegner and Matthias Kuhl and Theresa Höldrich and Knut Müller-Caspary and David A Egger and Ian D Sharp}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85200045654&doi=10.1002%2faenm.202402540&partnerID=40&md5=0920a3af1e49a334c8428c4809cec323}, doi = {10.1002/aenm.202402540}, issn = {16146832}, year = {2024}, date = {2024-01-01}, journal = {Advanced Energy Materials}, publisher = {John Wiley and Sons Inc}, abstract = {Ternary nitrides are rapidly emerging as promising compounds for optoelectronic and energy conversion applications, yet comparatively little of this vast composition space has been explored. Furthermore, the crystal structures of these compounds can exhibit a significant amount of disorder, the consequences of which are not yet well understood. Here, the deposition of bixbyite-type ZrTaN3 thin films is demonstrated by reactive magnetron co-sputtering and observed semiconducting character, with a strong optical absorption onset at 1.8 eV and significant photoactivity, with prospective application as functional photoanodes. It is found that Wyckoff-site occupancy of cations is a critical factor in determining these beneficial optoelectronic properties. First-principles calculations show that cation disorder leads to minor deviations in the total energy but modulates the bandgap by 0.5 eV, changing orbital hybridization of valence and conduction band states. In addition to demonstrating that ZrTaN3 is a promising visible light-absorbing semiconductor and active photoanode material, the findings provide important insights regarding the role of cation ordering on the electronic structure of ternary semiconductors. In particular, it is shown that not only cation order, but also the cationic Wyckoff site occupancy has a substantial impact on key optoelectronic properties, which can guide future design and synthesis of advanced semiconductors. © 2024 The Author(s). Advanced Energy Materials published by Wiley-VCH GmbH.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Ternary nitrides are rapidly emerging as promising compounds for optoelectronic and energy conversion applications, yet comparatively little of this vast composition space has been explored. Furthermore, the crystal structures of these compounds can exhibit a significant amount of disorder, the consequences of which are not yet well understood. Here, the deposition of bixbyite-type ZrTaN3 thin films is demonstrated by reactive magnetron co-sputtering and observed semiconducting character, with a strong optical absorption onset at 1.8 eV and significant photoactivity, with prospective application as functional photoanodes. It is found that Wyckoff-site occupancy of cations is a critical factor in determining these beneficial optoelectronic properties. First-principles calculations show that cation disorder leads to minor deviations in the total energy but modulates the bandgap by 0.5 eV, changing orbital hybridization of valence and conduction band states. In addition to demonstrating that ZrTaN3 is a promising visible light-absorbing semiconductor and active photoanode material, the findings provide important insights regarding the role of cation ordering on the electronic structure of ternary semiconductors. In particular, it is shown that not only cation order, but also the cationic Wyckoff site occupancy has a substantial impact on key optoelectronic properties, which can guide future design and synthesis of advanced semiconductors. © 2024 The Author(s). Advanced Energy Materials published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85200045654&doi=10.1002%[...] doi:10.1002/aenm.202402540 Close
22.	Wolz, Lukas M; Grötzner, Gabriel; Rieth, Tim; Wagner, Laura I; Kuhl, Matthias; Dittloff, Johannes; Zhou, Guanda; Santra, Saswati; Streibel, Verena; Munnik, Frans; Sharp, Ian D; Eichhorn, Johanna: Impact of Defects and Disorder on the Stability of Ta3N5 Photoanodes. In: Advanced Functional Materials, 2024, ISSN: 1616301X, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Wolz2024, title = {Impact of Defects and Disorder on the Stability of Ta3N5 Photoanodes}, author = {Lukas M Wolz and Gabriel Grötzner and Tim Rieth and Laura I Wagner and Matthias Kuhl and Johannes Dittloff and Guanda Zhou and Saswati Santra and Verena Streibel and Frans Munnik and Ian D Sharp and Johanna Eichhorn}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85198074227&doi=10.1002%2fadfm.202405532&partnerID=40&md5=cd0b1af1d85e3ab9bce8ba5e4f75117b}, doi = {10.1002/adfm.202405532}, issn = {1616301X}, year = {2024}, date = {2024-01-01}, journal = {Advanced Functional Materials}, publisher = {John Wiley and Sons Inc}, abstract = {The photoelectrochemical performance of Ta3N5 photoanodes is strongly impacted by the presence of shallow and deep defects within the bandgap. However, the role of such states in defining stability under operational conditions is not well understood. Here, a highly controllable synthesis approach is used to create homogenous Ta3N5 thin films with tailored defect concentrations to establish the relationship between atomic-scale point defects and macroscale stability. Reduced oxygen contents increase long-range structural order but lead to high concentrations of deep-level states, while higher oxygen contents result in reduced structural order but beneficially passivate deep-level defects. Despite the different defect properties, the synthesized photoelectrodes degrade similarly under water oxidation conditions due to the formation of a surface oxide layer that blocks interfacial hole injection and accelerates charge recombination. In contrast, under ferrocyanide oxidation conditions, it is found that Ta3N5 films with high oxygen concentrations exhibit long-term stability, whereas those possessing lower oxygen contents and higher deep-level defect concentrations rapidly degrade. These results indicate that deep-level defects result in rapid trapping of photocarriers and surface oxidation but that shallow oxygen donors can be introduced into Ta3N5 to enable kinetic stabilization of the interface. © 2024 The Author(s). Advanced Functional Materials published by Wiley-VCH GmbH.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close The photoelectrochemical performance of Ta3N5 photoanodes is strongly impacted by the presence of shallow and deep defects within the bandgap. However, the role of such states in defining stability under operational conditions is not well understood. Here, a highly controllable synthesis approach is used to create homogenous Ta3N5 thin films with tailored defect concentrations to establish the relationship between atomic-scale point defects and macroscale stability. Reduced oxygen contents increase long-range structural order but lead to high concentrations of deep-level states, while higher oxygen contents result in reduced structural order but beneficially passivate deep-level defects. Despite the different defect properties, the synthesized photoelectrodes degrade similarly under water oxidation conditions due to the formation of a surface oxide layer that blocks interfacial hole injection and accelerates charge recombination. In contrast, under ferrocyanide oxidation conditions, it is found that Ta3N5 films with high oxygen concentrations exhibit long-term stability, whereas those possessing lower oxygen contents and higher deep-level defect concentrations rapidly degrade. These results indicate that deep-level defects result in rapid trapping of photocarriers and surface oxidation but that shallow oxygen donors can be introduced into Ta3N5 to enable kinetic stabilization of the interface. © 2024 The Author(s). Advanced Functional Materials published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85198074227&doi=10.1002%[...] doi:10.1002/adfm.202405532 Close
23.	Lu, Wenzheng; Menezes, Leonardo De S; Tittl, Andreas; Ren, Haoran; Maier, Stefan A: Active Huygens' metasurface based on in-situ grown conductive polymer. In: Nanophotonics, 13 (1), pp. 39 – 49, 2024, ISSN: 21928614, (Cited by: 4; All Open Access, Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Lu202439, title = {Active Huygens' metasurface based on in-situ grown conductive polymer}, author = {Wenzheng Lu and Leonardo De S Menezes and Andreas Tittl and Haoran Ren and Stefan A Maier}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180982631&doi=10.1515%2fnanoph-2023-0562&partnerID=40&md5=b85fb65df1761b8185f91a063cf64def}, doi = {10.1515/nanoph-2023-0562}, issn = {21928614}, year = {2024}, date = {2024-01-01}, journal = {Nanophotonics}, volume = {13}, number = {1}, pages = {39 – 49}, publisher = {Walter de Gruyter GmbH}, abstract = {Active metasurfaces provide unique advantages for on-demand light manipulation at a subwavelength scale for emerging visual applications of displays, holographic projectors, optical sensors, light detection and ranging (LiDAR). These applications put stringent requirements on switching speed, cycling duration, electro-optical controllability, modulation contrast, optical efficiency and operation voltages. However, previous demonstrations focus only on particular subsets of these key performance requirements for device implementation, while the other performance metrics have remained too low for any practical use. Here, we demonstrate an active Huygens' metasurface based on conductive polyaniline (PANI), which can be in-situ grown and optimized on the metasurface. We have achieved simultaneously on the active metasurface switching speed of 60 frame per second (fps), switching duration of more than 2000 switching cycles without noticeable degradation, hysteresis-free controllability over intermediate states, modulation contrast of over 1400 %, optical efficiency of 28 % and operation voltage range within 1 V. Such PANI-powered active metasurface design can be readily incorporated into other metasurface concepts to deliver high-reliability electrical control over its optical response, paving the way for compact and robust electro-optic metadevices. © 2023 the author(s), published by De Gruyter, Berlin/Boston.}, note = {Cited by: 4; All Open Access, Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Active metasurfaces provide unique advantages for on-demand light manipulation at a subwavelength scale for emerging visual applications of displays, holographic projectors, optical sensors, light detection and ranging (LiDAR). These applications put stringent requirements on switching speed, cycling duration, electro-optical controllability, modulation contrast, optical efficiency and operation voltages. However, previous demonstrations focus only on particular subsets of these key performance requirements for device implementation, while the other performance metrics have remained too low for any practical use. Here, we demonstrate an active Huygens' metasurface based on conductive polyaniline (PANI), which can be in-situ grown and optimized on the metasurface. We have achieved simultaneously on the active metasurface switching speed of 60 frame per second (fps), switching duration of more than 2000 switching cycles without noticeable degradation, hysteresis-free controllability over intermediate states, modulation contrast of over 1400 %, optical efficiency of 28 % and operation voltage range within 1 V. Such PANI-powered active metasurface design can be readily incorporated into other metasurface concepts to deliver high-reliability electrical control over its optical response, paving the way for compact and robust electro-optic metadevices. © 2023 the author(s), published by De Gruyter, Berlin/Boston. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180982631&doi=10.1515%[...] doi:10.1515/nanoph-2023-0562 Close
24.	Kang, Ziyong; Tong, Yu; Wang, Kun; Chen, Yali; Yan, Peng; Pan, Guangjiu; Müller-Buschbaum, Peter; Zhang, Lu; Yang, Yang; Wu, Jiandong; Xie, Haijiao; Liu, Shengzhong; Wang, Hongqiang: Tailoring Low-Dimensional Phases for Improved Performance of 2D-3D Tin Perovskite Solar Cells. In: ACS Materials Letters, 6 (1), pp. 1 – 9, 2024, ISSN: 26394979, (Cited by: 3). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Kang20241, title = {Tailoring Low-Dimensional Phases for Improved Performance of 2D-3D Tin Perovskite Solar Cells}, author = {Ziyong Kang and Yu Tong and Kun Wang and Yali Chen and Peng Yan and Guangjiu Pan and Peter Müller-Buschbaum and Lu Zhang and Yang Yang and Jiandong Wu and Haijiao Xie and Shengzhong Liu and Hongqiang Wang}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181018682&doi=10.1021%2facsmaterialslett.3c00929&partnerID=40&md5=33d2f41ede233f1b22168434e254337d}, doi = {10.1021/acsmaterialslett.3c00929}, issn = {26394979}, year = {2024}, date = {2024-01-01}, journal = {ACS Materials Letters}, volume = {6}, number = {1}, pages = {1 – 9}, publisher = {American Chemical Society}, abstract = {2D-3D tin perovskites are considered as promising candidates for realizing efficient lead-free perovskite solar cells (PSCs). However, the ultrathin 2D phases could unfavorably affect charge transport and device performance. In the present work, we demonstrate that the introduction of D-homoserine lactone hydrochloride (D-HLH) can tailor the low-dimensional phases and improve the quality of 2D-3D tin perovskite films. The functional group in D-HLH can interact with FA+ and I- as well as Sn2+ in the precursor solution. These interactions not only affect the formation of tin perovskite film and favor the formation of thicker 2D phases but also decrease the defect density and suppress the nonradiative recombination. As a result, the efficiency of tin PSCs is significantly improved from 7.97 to 12.45%, and the stability of the device is also enhanced. This work provides a feasible strategy to regulate the low-dimensional phases in 2D-3D tin PSCs toward realizing high efficiency. © 2023 American Chemical Society.}, note = {Cited by: 3}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close 2D-3D tin perovskites are considered as promising candidates for realizing efficient lead-free perovskite solar cells (PSCs). However, the ultrathin 2D phases could unfavorably affect charge transport and device performance. In the present work, we demonstrate that the introduction of D-homoserine lactone hydrochloride (D-HLH) can tailor the low-dimensional phases and improve the quality of 2D-3D tin perovskite films. The functional group in D-HLH can interact with FA+ and I- as well as Sn2+ in the precursor solution. These interactions not only affect the formation of tin perovskite film and favor the formation of thicker 2D phases but also decrease the defect density and suppress the nonradiative recombination. As a result, the efficiency of tin PSCs is significantly improved from 7.97 to 12.45%, and the stability of the device is also enhanced. This work provides a feasible strategy to regulate the low-dimensional phases in 2D-3D tin PSCs toward realizing high efficiency. © 2023 American Chemical Society. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181018682&doi=10.1021%[...] doi:10.1021/acsmaterialslett.3c00929 Close
25.	Guo, Xiao; Jia, Zhenrong; Liu, Shunchang; Guo, Renjun; Jiang, Fangyuan; Shi, Yangwei; Dong, Zijing; Luo, Ran; Wang, Yu-Duan; Shi, Zhuojie; Li, Jia; Chen, Jinxi; Lee, Ling Kai; Müller-Buschbaum, Peter; Ginger, David S; Paterson, David J; Hou, Yi: Stabilizing efficient wide-bandgap perovskite in perovskite-organic tandem solar cells. In: Joule, 2024, ISSN: 25424351, (Cited by: 1). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Guo2024b, title = {Stabilizing efficient wide-bandgap perovskite in perovskite-organic tandem solar cells}, author = {Xiao Guo and Zhenrong Jia and Shunchang Liu and Renjun Guo and Fangyuan Jiang and Yangwei Shi and Zijing Dong and Ran Luo and Yu-Duan Wang and Zhuojie Shi and Jia Li and Jinxi Chen and Ling Kai Lee and Peter Müller-Buschbaum and David S Ginger and David J Paterson and Yi Hou}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85198585351&doi=10.1016%2fj.joule.2024.06.009&partnerID=40&md5=8f76312a131a5996d18067ca5866992a}, doi = {10.1016/j.joule.2024.06.009}, issn = {25424351}, year = {2024}, date = {2024-01-01}, journal = {Joule}, publisher = {Cell Press}, abstract = {Iodide and bromide integration facilitate bandgap tunability in wide-bandgap perovskites, yet high concentrations of bromide lead to halide phase segregation, adversely affecting the efficiency and stability of solar cell devices. In this work, 2-amino-4,5-imidazoledicarbonitrile (AIDCN), with highly polarized charge distribution and compact molecular configuration, is incorporated into a 1.86 eV wide-bandgap perovskite to effectively suppress photoinduced iodine escape and phase segregation. Hyperspectral photoluminescence microscopy reveals that AIDCN mitigates phase segregation under continuous laser exposure. Concurrent in situ grazing-incidence wide-angle X-ray scattering and X-ray fluorescence measurements further validate suppressed iodine escape, evidenced by a notable slowing down of lattice shrinkage and a well-maintained overall chemical composition of the perovskite under continuous illumination. Applying this approach, we achieve a power conversion efficiency (PCE) of 18.52% in 1.86 eV wide-bandgap perovskite solar cells. By integrating this perovskite subcell with the PM6:BTP-eC9 organic subcell, the tandem attains a maximum PCE of 25.13%, with a certified stabilized PCE of 23.40%. © 2024 Elsevier Inc.}, note = {Cited by: 1}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Iodide and bromide integration facilitate bandgap tunability in wide-bandgap perovskites, yet high concentrations of bromide lead to halide phase segregation, adversely affecting the efficiency and stability of solar cell devices. In this work, 2-amino-4,5-imidazoledicarbonitrile (AIDCN), with highly polarized charge distribution and compact molecular configuration, is incorporated into a 1.86 eV wide-bandgap perovskite to effectively suppress photoinduced iodine escape and phase segregation. Hyperspectral photoluminescence microscopy reveals that AIDCN mitigates phase segregation under continuous laser exposure. Concurrent in situ grazing-incidence wide-angle X-ray scattering and X-ray fluorescence measurements further validate suppressed iodine escape, evidenced by a notable slowing down of lattice shrinkage and a well-maintained overall chemical composition of the perovskite under continuous illumination. Applying this approach, we achieve a power conversion efficiency (PCE) of 18.52% in 1.86 eV wide-bandgap perovskite solar cells. By integrating this perovskite subcell with the PM6:BTP-eC9 organic subcell, the tandem attains a maximum PCE of 25.13%, with a certified stabilized PCE of 23.40%. © 2024 Elsevier Inc. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85198585351&doi=10.1016%[...] doi:10.1016/j.joule.2024.06.009 Close
26.	Al-Romema, Abdulaziz A; Plass, Fabian; Nizovtsev, Alexey V; Kahnt, Axel; Tsogoeva, Svetlana B: Synthesis and Photo/Radiation Chemical Characterization of a New Redox-Stable Pyridine-Triazole Ligand. In: ChemPhysChem, 2024, ISSN: 14394235, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Al-Romema2024, title = {Synthesis and Photo/Radiation Chemical Characterization of a New Redox-Stable Pyridine-Triazole Ligand}, author = {Abdulaziz A Al-Romema and Fabian Plass and Alexey V Nizovtsev and Axel Kahnt and Svetlana B Tsogoeva}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85199355837&doi=10.1002%2fcphc.202400273&partnerID=40&md5=c78b0f6d075ab0c0f6df2245c4101283}, doi = {10.1002/cphc.202400273}, issn = {14394235}, year = {2024}, date = {2024-01-01}, journal = {ChemPhysChem}, publisher = {John Wiley and Sons Inc}, abstract = {Photocatalysis using transition-metal complexes is widely considered the future of effective and affordable clean-air technology. In particular, redox-stable, easily accessible ligands are decisive. Here, we report a straightforward and facile synthesis of a new highly stable 2,6-bis(triazolyl)pyridine ligand, containing a nitrile moiety as a masked anchoring group, using copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction. The reported structure mimics the binding motif of uneasy to synthesize ligands. Pulse radiolysis under oxidizing and reducing conditions provided evidence for the high stability of the formed radical cation and radical anion 2,6-di(1,2,3-triazol-1-yl)-pyridine compound, thus indicating the feasibility of utilizing this as a ligand for redox active metal complexes and the sensitization of metal-oxide semiconductors (e. g., TiO2 nanoparticles or nanotubes). © 2024 The Author(s). ChemPhysChem published by Wiley-VCH GmbH.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Photocatalysis using transition-metal complexes is widely considered the future of effective and affordable clean-air technology. In particular, redox-stable, easily accessible ligands are decisive. Here, we report a straightforward and facile synthesis of a new highly stable 2,6-bis(triazolyl)pyridine ligand, containing a nitrile moiety as a masked anchoring group, using copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction. The reported structure mimics the binding motif of uneasy to synthesize ligands. Pulse radiolysis under oxidizing and reducing conditions provided evidence for the high stability of the formed radical cation and radical anion 2,6-di(1,2,3-triazol-1-yl)-pyridine compound, thus indicating the feasibility of utilizing this as a ligand for redox active metal complexes and the sensitization of metal-oxide semiconductors (e. g., TiO2 nanoparticles or nanotubes). © 2024 The Author(s). ChemPhysChem published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85199355837&doi=10.1002%[...] doi:10.1002/cphc.202400273 Close
27.	Bao, Yaqi; Li, Maoxin; Jin, Hangfan; Wang, Xiaobo; Zeng, Jie; Feng, Yang; Hui, Wei; Wang, Dourong; Gu, Lei; Zhang, Jie; Hua, Yikun; Wang, Xiao; Xu, Baomin; Chen, Wei; Wu, Zhongbin; Müller-Buschbaum, Peter; Song, Lin: Directional Charge Carrier Management Enabled by Orderly Arranged Perovskite Heterodomain with Defined Size for Self-Powered Photodetectors. In: Advanced Functional Materials, 2024, ISSN: 1616301X, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Bao2024, title = {Directional Charge Carrier Management Enabled by Orderly Arranged Perovskite Heterodomain with Defined Size for Self-Powered Photodetectors}, author = {Yaqi Bao and Maoxin Li and Hangfan Jin and Xiaobo Wang and Jie Zeng and Yang Feng and Wei Hui and Dourong Wang and Lei Gu and Jie Zhang and Yikun Hua and Xiao Wang and Baomin Xu and Wei Chen and Zhongbin Wu and Peter Müller-Buschbaum and Lin Song}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193513101&doi=10.1002%2fadfm.202404697&partnerID=40&md5=ca0b9b978a85c5dcf11002f1f93411f6}, doi = {10.1002/adfm.202404697}, issn = {1616301X}, year = {2024}, date = {2024-01-01}, journal = {Advanced Functional Materials}, publisher = {John Wiley and Sons Inc}, abstract = {Perovskite planar heterojunction is reported to promote charge-carrier separation at the interface due to the introduced built-in potential, leading to improved charge-carrier harvesting. However, the possible diffusion of charge carriers along the film lateral will increase their travel distance to respective electrodes, resulting in increased recombination probabilities. Constructing independent transport channels for positive and negative charge carriers individually is an efficient way to optimize the transport in the perovskite layer and thereby to achieve enhanced device performance. Here, a solution-based strategy is proposed to fabricate lateral bulk heterojunction (BHJ) by arranging methylammonium-based and formamidinium-based perovskites alternately in an ordered array with controllable domains. The structure of perovskite heterodomain directs charge carrier transport along the film normal and limits in-plane charge carrier diffusion. Moreover, the ordered perovskite array is found to greatly increase light harvesting. Consequently, the self-powered photodetector based on the perovskite heterodomain with a thickness of only 250 nm achieves a specific detectivity exceeding 1 × 1014 Jones for weak light over the whole visible light spectrum. This work provides guidance toward the fabrication of perovskite lateral BHJ using solution processing, meeting the requirements not only for charge-carrier manipulation but also for light management. © 2024 Wiley-VCH GmbH.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Perovskite planar heterojunction is reported to promote charge-carrier separation at the interface due to the introduced built-in potential, leading to improved charge-carrier harvesting. However, the possible diffusion of charge carriers along the film lateral will increase their travel distance to respective electrodes, resulting in increased recombination probabilities. Constructing independent transport channels for positive and negative charge carriers individually is an efficient way to optimize the transport in the perovskite layer and thereby to achieve enhanced device performance. Here, a solution-based strategy is proposed to fabricate lateral bulk heterojunction (BHJ) by arranging methylammonium-based and formamidinium-based perovskites alternately in an ordered array with controllable domains. The structure of perovskite heterodomain directs charge carrier transport along the film normal and limits in-plane charge carrier diffusion. Moreover, the ordered perovskite array is found to greatly increase light harvesting. Consequently, the self-powered photodetector based on the perovskite heterodomain with a thickness of only 250 nm achieves a specific detectivity exceeding 1 × 1014 Jones for weak light over the whole visible light spectrum. This work provides guidance toward the fabrication of perovskite lateral BHJ using solution processing, meeting the requirements not only for charge-carrier manipulation but also for light management. © 2024 Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193513101&doi=10.1002%[...] doi:10.1002/adfm.202404697 Close
28.	Schmidt, Martina; Karg, Matthias; Thelakkat, Mukundan; Brendel, Johannes C: Correlating Molar Mass, π-Conjugation, and Optical Properties of Narrowly Distributed Anionic Polythiophenes in Aqueous Solutions. In: Macromolecular Rapid Communications, 45 (1), 2024, ISSN: 10221336, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Schmidt2024, title = {Correlating Molar Mass, π-Conjugation, and Optical Properties of Narrowly Distributed Anionic Polythiophenes in Aqueous Solutions}, author = {Martina Schmidt and Matthias Karg and Mukundan Thelakkat and Johannes C Brendel}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85167802995&doi=10.1002%2fmarc.202300396&partnerID=40&md5=25ee68f651d0dd779b6347c53ce70a27}, doi = {10.1002/marc.202300396}, issn = {10221336}, year = {2024}, date = {2024-01-01}, journal = {Macromolecular Rapid Communications}, volume = {45}, number = {1}, publisher = {John Wiley and Sons Inc}, abstract = {Polythiophene-based conjugated polyelectrolytes (CPE) are attracting increasing attention as sensor or interface materials in chemistry and biology. While cationic polythiophenes are better understood, limited structural information is available on their anionic counterparts. Limited access to well-defined polymers has made the study of structure-property relationships difficult and clear correlations have remained elusive. By combining controlled Kumada catalyst transfer polymerization with a polymer-analog substitution, regioregular and narrowly distributed poly(6-(thiophen-3-yl)hexane-1-sulfonate)s (PTHS) with tailored chain length are prepared. Analysis of their aqueous solution structures by small-angle neutron scattering (SANS) revealed a cylindrical conformation for all polymers tested, with a length close to the contour length of the polymer chains, while the estimated radii remain too small (<1.5 nm) for extensive π-stacking of the chains. The latter is particularly interesting as the longest polymer exhibits a concentration-independent structured absorption typical of crystalline polythiophenes. Increasing the ionic strength of the solution diminishes these features as the Coulomb repulsion between the charged repeat units is shielded, allowing the polymer to adopt a more coiled conformation. The extended π-conjugation, therefore, appears to be a key parameter for these unique optical features, which are not present in the corresponding cationic polythiophenes. © 2023 The Authors. Macromolecular Rapid Communications published by Wiley-VCH GmbH.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Polythiophene-based conjugated polyelectrolytes (CPE) are attracting increasing attention as sensor or interface materials in chemistry and biology. While cationic polythiophenes are better understood, limited structural information is available on their anionic counterparts. Limited access to well-defined polymers has made the study of structure-property relationships difficult and clear correlations have remained elusive. By combining controlled Kumada catalyst transfer polymerization with a polymer-analog substitution, regioregular and narrowly distributed poly(6-(thiophen-3-yl)hexane-1-sulfonate)s (PTHS) with tailored chain length are prepared. Analysis of their aqueous solution structures by small-angle neutron scattering (SANS) revealed a cylindrical conformation for all polymers tested, with a length close to the contour length of the polymer chains, while the estimated radii remain too small (<1.5 nm) for extensive π-stacking of the chains. The latter is particularly interesting as the longest polymer exhibits a concentration-independent structured absorption typical of crystalline polythiophenes. Increasing the ionic strength of the solution diminishes these features as the Coulomb repulsion between the charged repeat units is shielded, allowing the polymer to adopt a more coiled conformation. The extended π-conjugation, therefore, appears to be a key parameter for these unique optical features, which are not present in the corresponding cationic polythiophenes. © 2023 The Authors. Macromolecular Rapid Communications published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85167802995&doi=10.1002%[...] doi:10.1002/marc.202300396 Close
29.	Chen, Shouzheng; Harder, Constantin; Ribca, Iuliana; Sochor, Benedikt; Erbes, Elisabeth; Bulut, Yusuf; Pluntke, Luciana; Meinhardt, Alexander; Schummer, Bernhard; Oberthür, Markus; Keller, Thomas F; Söderberg, Daniel L; Techert, Simone A; Stierle, Andreas; Müller-Buschbaum, Peter; Johansson, Mats K G; Navarro, Julien; Roth, Stephan V: Sprayed water-based lignin colloidal nanoparticle-cellulose nanofibril hybrid films with UV-blocking ability. In: Nanoscale Advances, 2024, ISSN: 25160230, (Cited by: 0; All Open Access, Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Chen2024, title = {Sprayed water-based lignin colloidal nanoparticle-cellulose nanofibril hybrid films with UV-blocking ability}, author = {Shouzheng Chen and Constantin Harder and Iuliana Ribca and Benedikt Sochor and Elisabeth Erbes and Yusuf Bulut and Luciana Pluntke and Alexander Meinhardt and Bernhard Schummer and Markus Oberthür and Thomas F Keller and Daniel L Söderberg and Simone A Techert and Andreas Stierle and Peter Müller-Buschbaum and Mats K G Johansson and Julien Navarro and Stephan V Roth}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202938425&doi=10.1039%2fd4na00191e&partnerID=40&md5=80206fed1968bc7367190c873d5d97cd}, doi = {10.1039/d4na00191e}, issn = {25160230}, year = {2024}, date = {2024-01-01}, journal = {Nanoscale Advances}, publisher = {Royal Society of Chemistry}, abstract = {In the context of global climate change, the demand for new functional materials that are sustainable and environmentally friendly is rapidly increasing. Cellulose and lignin are the two most abundant raw materials in nature, and are ideal components for functional materials. The hydrophilic interface and easy film-forming properties of cellulose nanofibrils make them excellent candidates for natural biopolymer templates and network structures. Lignin is a natural UV-shielding material, as it contains a large number of phenolic groups. In this work, we have applied two routes for spray deposition of hybrid films with different laminar structures using surface-charged cellulose nanofibrils and water-based colloidal lignin particles. As the first route, we prepare stacked colloidal lignin particles and cellulose nanofibrils hybrid film through a layer-by-layer deposition. As the second route, we spray-deposite premixed colloidal lignin particles and cellulose nanofibrils dispersion to prepare a mixed hybrid film. We find that cellulose nanofibrils act as a directing agent to dominate the arrangement of the colloidal lignin particles in a mixed system. Additionally, cellulose nanofibrils eliminate the agglomerations and thus increase the visible light transparency while retaining the UV shielding ability. Our research on these colloidal lignin and cellulose nanofibril hybrid films provides a fundamental understanding of using colloidal lignin nanoparticles as functional material on porous cellulose-based materials, for example on fabrics. © 2024 RSC}, note = {Cited by: 0; All Open Access, Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close In the context of global climate change, the demand for new functional materials that are sustainable and environmentally friendly is rapidly increasing. Cellulose and lignin are the two most abundant raw materials in nature, and are ideal components for functional materials. The hydrophilic interface and easy film-forming properties of cellulose nanofibrils make them excellent candidates for natural biopolymer templates and network structures. Lignin is a natural UV-shielding material, as it contains a large number of phenolic groups. In this work, we have applied two routes for spray deposition of hybrid films with different laminar structures using surface-charged cellulose nanofibrils and water-based colloidal lignin particles. As the first route, we prepare stacked colloidal lignin particles and cellulose nanofibrils hybrid film through a layer-by-layer deposition. As the second route, we spray-deposite premixed colloidal lignin particles and cellulose nanofibrils dispersion to prepare a mixed hybrid film. We find that cellulose nanofibrils act as a directing agent to dominate the arrangement of the colloidal lignin particles in a mixed system. Additionally, cellulose nanofibrils eliminate the agglomerations and thus increase the visible light transparency while retaining the UV shielding ability. Our research on these colloidal lignin and cellulose nanofibril hybrid films provides a fundamental understanding of using colloidal lignin nanoparticles as functional material on porous cellulose-based materials, for example on fabrics. © 2024 RSC Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202938425&doi=10.1039%[...] doi:10.1039/d4na00191e Close
30.	Betker, Marie; Erichlandwehr, Tim; Sochor, Benedikt; Erbes, Elisabeth; Kurmanbay, Alisher; Alon, Yamit; Li, Yanan; Fernandez-Cuesta, Irene; Müller-Buschbaum, Peter; Techert, Simone A; Söderberg, Daniel L; Roth, Stephan V: Micrometer-Thin Nanocellulose Foils for 3D Organic Electronics. In: Advanced Functional Materials, 2024, ISSN: 1616301X, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Betker2024, title = {Micrometer-Thin Nanocellulose Foils for 3D Organic Electronics}, author = {Marie Betker and Tim Erichlandwehr and Benedikt Sochor and Elisabeth Erbes and Alisher Kurmanbay and Yamit Alon and Yanan Li and Irene Fernandez-Cuesta and Peter Müller-Buschbaum and Simone A Techert and Daniel L Söderberg and Stephan V Roth}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193521275&doi=10.1002%2fadfm.202403952&partnerID=40&md5=e74d8059dea72b93fe3121f6cbb1266c}, doi = {10.1002/adfm.202403952}, issn = {1616301X}, year = {2024}, date = {2024-01-01}, journal = {Advanced Functional Materials}, publisher = {John Wiley and Sons Inc}, abstract = {Cellulose is a natural polymer with great properties such as high optical transparency and mechanical strength, flexibility, and biodegradability. Hence, cellulose-based foils are suitable for the replacement of synthetic polymers as substrate materials in organic electronics. This article reports the fabrication of ultrathin, free-standing cellulose foils by spraying aqueous 2,2,6,6-tetramethylpiperidine-1-oxyl-nanocellulose (TEMPO) fibrils ink layer-by-layer on a hot substrate using a movable spray nozzle. The resulting foils are only 2 ± 1 µm in thickness with an average basis weight of 1.9 g m−2, which ranges in the same scale as the world's thinnest paper. The suitability of these ultra-thin nanocellulose foils as a sustainable substrate material for organic electronic applications is demonstrated by testing the foils resistance against organic solvents. Furthermore, silver nanowires (AgNWs) and the blend poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) are integrated into the foils, and the foils are molded into 3D paper structures in order to create conductive, paper-based building blocks for organic electronics. © 2024 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Cellulose is a natural polymer with great properties such as high optical transparency and mechanical strength, flexibility, and biodegradability. Hence, cellulose-based foils are suitable for the replacement of synthetic polymers as substrate materials in organic electronics. This article reports the fabrication of ultrathin, free-standing cellulose foils by spraying aqueous 2,2,6,6-tetramethylpiperidine-1-oxyl-nanocellulose (TEMPO) fibrils ink layer-by-layer on a hot substrate using a movable spray nozzle. The resulting foils are only 2 ± 1 µm in thickness with an average basis weight of 1.9 g m−2, which ranges in the same scale as the world's thinnest paper. The suitability of these ultra-thin nanocellulose foils as a sustainable substrate material for organic electronic applications is demonstrated by testing the foils resistance against organic solvents. Furthermore, silver nanowires (AgNWs) and the blend poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) are integrated into the foils, and the foils are molded into 3D paper structures in order to create conductive, paper-based building blocks for organic electronics. © 2024 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193521275&doi=10.1002%[...] doi:10.1002/adfm.202403952 Close
31.	Aigner, Andreas; Ligmajer, Filip; Rovenská, Katarína; Holobrádek, Jakub; Idesová, Beáta; Maier, Stefan A; Tittl, Andreas; de Menezes, Leonardo S: Engineering of Active and Passive Loss in High-Quality-Factor Vanadium Dioxide-Based BIC Metasurfaces. In: Nano Letters, 2024, ISSN: 15306984, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Aigner2024, title = {Engineering of Active and Passive Loss in High-Quality-Factor Vanadium Dioxide-Based BIC Metasurfaces}, author = {Andreas Aigner and Filip Ligmajer and Katarína Rovenská and Jakub Holobrádek and Beáta Idesová and Stefan A Maier and Andreas Tittl and Leonardo de S. Menezes}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202647685&doi=10.1021%2facs.nanolett.4c01703&partnerID=40&md5=a06760cb7b7f4e006a623ff6232c4499}, doi = {10.1021/acs.nanolett.4c01703}, issn = {15306984}, year = {2024}, date = {2024-01-01}, journal = {Nano Letters}, publisher = {American Chemical Society}, abstract = {Active functionalities of metasurfaces are of growing interest in nanophotonics. The main strategy employed to date is spectral resonance tuning affecting predominantly the far-field response. However, this barely influences other essential resonance properties like near-field enhancement, signal modulation, quality factor, and absorbance, which are all vital for numerous applications. Here we introduce an active metasurface approach that combines temperature-tunable losses in vanadium dioxide with far-field coupling tunable symmetry-protected bound states in the continuum. This method enables exceptional precision in independently controlling both radiative and nonradiative losses. Consequently, it allows for the adjustment of both the far-field response and, notably, the near-field characteristics like local field enhancement and absorbance. We experimentally demonstrate continuous tuning from under- through critical- to overcoupling, achieving quality factors of 200 and a relative switching contrast of 78%. Our research marks a significant step toward highly tunable metasurfaces, controlling both near- and far-field properties. © 2024 The Authors. Published by American Chemical Society.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Active functionalities of metasurfaces are of growing interest in nanophotonics. The main strategy employed to date is spectral resonance tuning affecting predominantly the far-field response. However, this barely influences other essential resonance properties like near-field enhancement, signal modulation, quality factor, and absorbance, which are all vital for numerous applications. Here we introduce an active metasurface approach that combines temperature-tunable losses in vanadium dioxide with far-field coupling tunable symmetry-protected bound states in the continuum. This method enables exceptional precision in independently controlling both radiative and nonradiative losses. Consequently, it allows for the adjustment of both the far-field response and, notably, the near-field characteristics like local field enhancement and absorbance. We experimentally demonstrate continuous tuning from under- through critical- to overcoupling, achieving quality factors of 200 and a relative switching contrast of 78%. Our research marks a significant step toward highly tunable metasurfaces, controlling both near- and far-field properties. © 2024 The Authors. Published by American Chemical Society. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202647685&doi=10.1021%[...] doi:10.1021/acs.nanolett.4c01703 Close
32.	Valente, Gonçalo; Dantas, Raquel; Ferreira, Pedro; Grieco, Rebecca; Patil, Nagaraj; Guillem-Navajas, Ana; Miguel, David Rodríguez-San; Zamora, Félix; Guntermann, Roman; Bein, Thomas; Rocha, João; Braga, Helena M; Strutyński, Karol; Melle-Franco, Manuel; Marcilla, Rebeca; Souto, Manuel: Tetrathiafulvalene-based covalent organic frameworks as high-voltage organic cathodes for lithium batteries. In: Journal of Materials Chemistry A, 2024, ISSN: 20507488, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Valente2024, title = {Tetrathiafulvalene-based covalent organic frameworks as high-voltage organic cathodes for lithium batteries}, author = {Gonçalo Valente and Raquel Dantas and Pedro Ferreira and Rebecca Grieco and Nagaraj Patil and Ana Guillem-Navajas and David Rodríguez-San Miguel and Félix Zamora and Roman Guntermann and Thomas Bein and João Rocha and Helena M Braga and Karol Strutyński and Manuel Melle-Franco and Rebeca Marcilla and Manuel Souto}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85201428063&doi=10.1039%2fd4ta04576a&partnerID=40&md5=961b9f8d9b2a7e85f5fa41fbc3c5a440}, doi = {10.1039/d4ta04576a}, issn = {20507488}, year = {2024}, date = {2024-01-01}, journal = {Journal of Materials Chemistry A}, publisher = {Royal Society of Chemistry}, abstract = {Redox-active covalent organic frameworks (COFs) are promising electrode materials for metal-ion batteries owing to their tunable electrochemical properties, adjustable structure, and resource availability. Herein, we report a series of two-dimensional tetrathiafulvalene (TTF)-based COFs incorporating different organic linkers between the electroactive moieties. These COFs were investigated as p-type organic cathode materials for lithium-organic batteries. The electrical conductivity of both neutral and doped TTF-COFs was measured using a van der Pauw setup, and their electronic structures were investigated through quantum-chemical calculations. Binder-free buckypaper TTF-based electrodes were prepared and systematically tested as organic cathodes in lithium half-cells. The results revealed high average discharge potentials (∼3.6 V vs. Li/Li+) and consistent cycling stability (80% capacity retention after 400 cycles at 2C) for the three TTF-COF electrodes. In addition, the specific capacity, rate capability, and kinetics varied depending on the structure of the framework. Our results highlight the potential of TTF-COFs as high-voltage organic cathodes for metal-ion batteries and emphasize the importance of molecular design in optimizing their electrochemical performance. © 2024 The Royal Society of Chemistry.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Redox-active covalent organic frameworks (COFs) are promising electrode materials for metal-ion batteries owing to their tunable electrochemical properties, adjustable structure, and resource availability. Herein, we report a series of two-dimensional tetrathiafulvalene (TTF)-based COFs incorporating different organic linkers between the electroactive moieties. These COFs were investigated as p-type organic cathode materials for lithium-organic batteries. The electrical conductivity of both neutral and doped TTF-COFs was measured using a van der Pauw setup, and their electronic structures were investigated through quantum-chemical calculations. Binder-free buckypaper TTF-based electrodes were prepared and systematically tested as organic cathodes in lithium half-cells. The results revealed high average discharge potentials (∼3.6 V vs. Li/Li+) and consistent cycling stability (80% capacity retention after 400 cycles at 2C) for the three TTF-COF electrodes. In addition, the specific capacity, rate capability, and kinetics varied depending on the structure of the framework. Our results highlight the potential of TTF-COFs as high-voltage organic cathodes for metal-ion batteries and emphasize the importance of molecular design in optimizing their electrochemical performance. © 2024 The Royal Society of Chemistry. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85201428063&doi=10.1039%[...] doi:10.1039/d4ta04576a Close
33.	Sirotti, Elise; Böhm, Stefan; Sharp, Ian D: Ultrastable Zn3N2 Thin Films via Integration of Amorphous GaN Protection Layers. In: Advanced Materials Interfaces, 11 (22), 2024, ISSN: 21967350, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Sirotti2024, title = {Ultrastable Zn3N2 Thin Films via Integration of Amorphous GaN Protection Layers}, author = {Elise Sirotti and Stefan Böhm and Ian D Sharp}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85196511694&doi=10.1002%2fadmi.202400214&partnerID=40&md5=dc119cc28d4f1c2ccb3c5d6edda495f7}, doi = {10.1002/admi.202400214}, issn = {21967350}, year = {2024}, date = {2024-01-01}, journal = {Advanced Materials Interfaces}, volume = {11}, number = {22}, publisher = {John Wiley and Sons Inc}, abstract = {Zinc nitride (Zn3N2) is a promising semiconductor for a range of optoelectronic and energy conversion applications, offering a direct bandgap of 1.0 eV, large carrier mobilities, and abundant constituent elements. However, the material is prone to bulk oxidation in ambient environments, which has thus far impeded its practical deployment. While previous approaches have focused on stabilizing the material via integration of ZnO surface layers, these strategies introduce additional challenges regarding elevated processing temperatures and limited control of interface properties. In this study, it is shown that amorphous GaN thin films can serve as highly stable protection layers on Zn3N2 surfaces and can be deposited at the same growth temperature and in the same deposition system as the underlying semiconductor. The GaN-capped Zn3N2 structures exhibit long-term stability, surviving over 3 years of exposure to ambient conditions with no discernible alterations in composition, structure, or electrical properties. Notably, the amorphous GaN coatings can even impede Zn3N2 oxidation under prolonged aqueous exposure. Thus, this study offers a solution to stabilize Zn3N2 in ambient conditions, providing a viable pathway to its utilization in robust and high-performance electronic devices, such as thin film transistors and solar energy conversion systems. © 2024 The Author(s). Advanced Materials Interfaces published by Wiley-VCH GmbH.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Zinc nitride (Zn3N2) is a promising semiconductor for a range of optoelectronic and energy conversion applications, offering a direct bandgap of 1.0 eV, large carrier mobilities, and abundant constituent elements. However, the material is prone to bulk oxidation in ambient environments, which has thus far impeded its practical deployment. While previous approaches have focused on stabilizing the material via integration of ZnO surface layers, these strategies introduce additional challenges regarding elevated processing temperatures and limited control of interface properties. In this study, it is shown that amorphous GaN thin films can serve as highly stable protection layers on Zn3N2 surfaces and can be deposited at the same growth temperature and in the same deposition system as the underlying semiconductor. The GaN-capped Zn3N2 structures exhibit long-term stability, surviving over 3 years of exposure to ambient conditions with no discernible alterations in composition, structure, or electrical properties. Notably, the amorphous GaN coatings can even impede Zn3N2 oxidation under prolonged aqueous exposure. Thus, this study offers a solution to stabilize Zn3N2 in ambient conditions, providing a viable pathway to its utilization in robust and high-performance electronic devices, such as thin film transistors and solar energy conversion systems. © 2024 The Author(s). Advanced Materials Interfaces published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85196511694&doi=10.1002%[...] doi:10.1002/admi.202400214 Close
34.	Berger, Luca M; Barkey, Martin; Maier, Stefan A; Tittl, Andreas: Metallic and All-Dielectric Metasurfaces Sustaining Displacement-Mediated Bound States in the Continuum. In: Advanced Optical Materials, 12 (5), 2024, ISSN: 21951071, (Cited by: 6; All Open Access, Green Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Berger2024, title = {Metallic and All-Dielectric Metasurfaces Sustaining Displacement-Mediated Bound States in the Continuum}, author = {Luca M Berger and Martin Barkey and Stefan A Maier and Andreas Tittl}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85169339120&doi=10.1002%2fadom.202301269&partnerID=40&md5=e2109c06d6b9ff2112970d07bbc33976}, doi = {10.1002/adom.202301269}, issn = {21951071}, year = {2024}, date = {2024-01-01}, journal = {Advanced Optical Materials}, volume = {12}, number = {5}, publisher = {John Wiley and Sons Inc}, abstract = {Bound states in the continuum (BICs) are localized electromagnetic modes within the continuous spectrum of radiating waves. Due to their infinite lifetimes without radiation losses, BICs are driving research directions in lasing, non-linear optical processes, and sensing. However, conventional methods for converting BICs into leaky resonances, or quasi-BICs, with high-quality factors typically rely on breaking the in-plane inversion symmetry of the metasurface and often result in resonances that are strongly dependent on the angle of the incident light, making them unsuitable for many practical applications. Here, an emerging class of BIC-driven metasurfaces is numerically analyzed and experimentally demonstrated, where the coupling to the far field is controlled by the displacement of individual resonators. In particular, both all-dielectric and metallic as well as positive and inverse displacement-mediated metasurfaces sustaining angular-robust quasi-BICs are investigated in the mid-infrared spectral region. Their optical behavior with regard to changes in the angle of incidence is investigated and experimentally shows their superior performance compared to two conventional alternatives: silicon-based tilted ellipses and cylindrical nanoholes in gold. These findings are anticipated to open exciting perspectives for bio-sensing, conformal optical devices, and photonic devices using focused light. © 2023 The Authors. Advanced Optical Materials published by Wiley-VCH GmbH.}, note = {Cited by: 6; All Open Access, Green Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Bound states in the continuum (BICs) are localized electromagnetic modes within the continuous spectrum of radiating waves. Due to their infinite lifetimes without radiation losses, BICs are driving research directions in lasing, non-linear optical processes, and sensing. However, conventional methods for converting BICs into leaky resonances, or quasi-BICs, with high-quality factors typically rely on breaking the in-plane inversion symmetry of the metasurface and often result in resonances that are strongly dependent on the angle of the incident light, making them unsuitable for many practical applications. Here, an emerging class of BIC-driven metasurfaces is numerically analyzed and experimentally demonstrated, where the coupling to the far field is controlled by the displacement of individual resonators. In particular, both all-dielectric and metallic as well as positive and inverse displacement-mediated metasurfaces sustaining angular-robust quasi-BICs are investigated in the mid-infrared spectral region. Their optical behavior with regard to changes in the angle of incidence is investigated and experimentally shows their superior performance compared to two conventional alternatives: silicon-based tilted ellipses and cylindrical nanoholes in gold. These findings are anticipated to open exciting perspectives for bio-sensing, conformal optical devices, and photonic devices using focused light. © 2023 The Authors. Advanced Optical Materials published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85169339120&doi=10.1002%[...] doi:10.1002/adom.202301269 Close
35.	Derelli, Davide; Frank, Kilian; Grote, Lukas; Mancini, Federica; Dippel, Ann-Christin; Gutowski, Olof; Nickel, Bert; Koziej, Dorota: Direct Synthesis of CuPd Icosahedra Supercrystals Studied by In Situ X-Ray Scattering. In: Small, 20 (32), 2024, ISSN: 16136810, (Cited by: 0; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Derelli2024, title = {Direct Synthesis of CuPd Icosahedra Supercrystals Studied by In Situ X-Ray Scattering}, author = {Davide Derelli and Kilian Frank and Lukas Grote and Federica Mancini and Ann-Christin Dippel and Olof Gutowski and Bert Nickel and Dorota Koziej}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85188518964&doi=10.1002%2fsmll.202311714&partnerID=40&md5=95bcc8e6ed98322bfb411c2169f05879}, doi = {10.1002/smll.202311714}, issn = {16136810}, year = {2024}, date = {2024-01-01}, journal = {Small}, volume = {20}, number = {32}, publisher = {John Wiley and Sons Inc}, abstract = {Nanocrystal self-assembly into supercrystals provides a versatile platform for creating novel materials and devices with tailored properties. While common self-assembly strategies imply the use of purified nanoparticles after synthesis, conversion of chemical precursors directly into nanocrystals and then supercrystals in simple procedures has been rarely reported. Here, the nucleation and growth of CuPd icosahedra and their consecutive assembly into large closed-packed face-centered cubic (fcc) supercrystals are studied. To this end, the study simultaneously and in situ measures X-ray total scattering with pair distribution function analysis (TS-PDF) and small-angle X-ray scattering (SAXS). It is found that the supercrystals' formation is preceded by an intermediate dense phase of nanocrystals displaying short-range order (SRO). It is further shown that the organization of oleic acid/oleylamine surfactants into lamellar structures likely drives the emergence of the SRO phase and later of the supercrystals by reducing the volume accessible to particle diffusion. The supercrystals' formation as well as their disassembly are triggered by temperature. The study demonstrates that ordering of solvent molecules can be crucial in the direct synthesis of supercrystals. The study also provides a general approach to investigate novel preparation routes of supercrystals in situ and across several length scales via X-ray scattering. © 2024 The Authors. Small published by Wiley-VCH GmbH.}, note = {Cited by: 0; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Nanocrystal self-assembly into supercrystals provides a versatile platform for creating novel materials and devices with tailored properties. While common self-assembly strategies imply the use of purified nanoparticles after synthesis, conversion of chemical precursors directly into nanocrystals and then supercrystals in simple procedures has been rarely reported. Here, the nucleation and growth of CuPd icosahedra and their consecutive assembly into large closed-packed face-centered cubic (fcc) supercrystals are studied. To this end, the study simultaneously and in situ measures X-ray total scattering with pair distribution function analysis (TS-PDF) and small-angle X-ray scattering (SAXS). It is found that the supercrystals' formation is preceded by an intermediate dense phase of nanocrystals displaying short-range order (SRO). It is further shown that the organization of oleic acid/oleylamine surfactants into lamellar structures likely drives the emergence of the SRO phase and later of the supercrystals by reducing the volume accessible to particle diffusion. The supercrystals' formation as well as their disassembly are triggered by temperature. The study demonstrates that ordering of solvent molecules can be crucial in the direct synthesis of supercrystals. The study also provides a general approach to investigate novel preparation routes of supercrystals in situ and across several length scales via X-ray scattering. © 2024 The Authors. Small published by Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85188518964&doi=10.1002%[...] doi:10.1002/smll.202311714 Close
36.	Jan, Pei-En; Liang, Hao-Chi; Cheng, Ren-Wei; Greve, Christopher R; Chuang, Yung-Tang; Chiu, Yung-Ling; Tan, Guang-Hsun; Elsenety, Mohamed M; Chang, Chih-Li; Dorrah, Dalia M; Lai, Hoong-Lien; Chiu, Po-Wei; Sun, Sheng-Yuan; Li, Yun-Li; Herzig, Eva M; Chou, Ho-Hsiu; Lin, Hao-Wu: Molecular Design Strategy for Meta-Substituted Aromatic Organic Halides in Zero-Lead-Release Halide Perovskites with Efficient Waterproof Light Emission. In: Advanced Functional Materials, 2024, ISSN: 1616301X, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Jan2024, title = {Molecular Design Strategy for Meta-Substituted Aromatic Organic Halides in Zero-Lead-Release Halide Perovskites with Efficient Waterproof Light Emission}, author = {Pei-En Jan and Hao-Chi Liang and Ren-Wei Cheng and Christopher R Greve and Yung-Tang Chuang and Yung-Ling Chiu and Guang-Hsun Tan and Mohamed M Elsenety and Chih-Li Chang and Dalia M Dorrah and Hoong-Lien Lai and Po-Wei Chiu and Sheng-Yuan Sun and Yun-Li Li and Eva M Herzig and Ho-Hsiu Chou and Hao-Wu Lin}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85203043862&doi=10.1002%2fadfm.202408323&partnerID=40&md5=a4d8aa1813df5d142bfe44e08872c17a}, doi = {10.1002/adfm.202408323}, issn = {1616301X}, year = {2024}, date = {2024-01-01}, journal = {Advanced Functional Materials}, publisher = {John Wiley and Sons Inc}, abstract = {Halide perovskites have received an immense attention in the field of optoelectronics due to their outstanding photophysical properties. But so far, lead-based halide perovskites still account for most of the research, which raises concerns due to lead toxicity. Herein, a new design strategy is proposed utilizing a super large, energetically higher singlet and triplet energy levels aromatic organic cation to incorporate into the perovskite structure, forming ultra-stable high-performance 2D/3D (quasi-2D) perovskite. The judicious molecular design of connecting all the phenyl groups at their meta sites ensures the simultaneous achievement of a large molecular weight and high singlet and triplet energy levels. The resulting quasi-2D perovskite thin films not only exhibits excellent emission properties but also, surprisingly, show long-term waterproof-level stability. The robustness of these perovskites is confirmed by their extraordinary emission stability upon direct water immersion and almost undetectable lead release in water. Proof-of-concept of a water-resistant color conversion-type perovskite near-infrared (NIR) light-emitting diode (LED) is demonstrated, showing high external quantum efficiency (EQE) and power conversion efficiency (PCE) of 20.5% and 13.3%, respectively. It is believed these results and strategy pave a new way for realizing environmentally friendly lead halide materials and devices. © 2024 Wiley-VCH GmbH.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Halide perovskites have received an immense attention in the field of optoelectronics due to their outstanding photophysical properties. But so far, lead-based halide perovskites still account for most of the research, which raises concerns due to lead toxicity. Herein, a new design strategy is proposed utilizing a super large, energetically higher singlet and triplet energy levels aromatic organic cation to incorporate into the perovskite structure, forming ultra-stable high-performance 2D/3D (quasi-2D) perovskite. The judicious molecular design of connecting all the phenyl groups at their meta sites ensures the simultaneous achievement of a large molecular weight and high singlet and triplet energy levels. The resulting quasi-2D perovskite thin films not only exhibits excellent emission properties but also, surprisingly, show long-term waterproof-level stability. The robustness of these perovskites is confirmed by their extraordinary emission stability upon direct water immersion and almost undetectable lead release in water. Proof-of-concept of a water-resistant color conversion-type perovskite near-infrared (NIR) light-emitting diode (LED) is demonstrated, showing high external quantum efficiency (EQE) and power conversion efficiency (PCE) of 20.5% and 13.3%, respectively. It is believed these results and strategy pave a new way for realizing environmentally friendly lead halide materials and devices. © 2024 Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85203043862&doi=10.1002%[...] doi:10.1002/adfm.202408323 Close
37.	Reus, Manuel A; Reb, Lennart K; Kosbahn, David P; Roth, Stephan V; Müller-Buschbaum, Peter: INSIGHT: in situ heuristic tool for the efficient reduction of grazing-incidence X-ray scattering data. In: Journal of Applied Crystallography, 57 , pp. 509 – 528, 2024, ISSN: 00218898, (Cited by: 5; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Reus2024509, title = {INSIGHT: in situ heuristic tool for the efficient reduction of grazing-incidence X-ray scattering data}, author = {Manuel A Reus and Lennart K Reb and David P Kosbahn and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85189931954&doi=10.1107%2fS1600576723011159&partnerID=40&md5=a928626dbb33d73f92d7880e27a75d81}, doi = {10.1107/S1600576723011159}, issn = {00218898}, year = {2024}, date = {2024-01-01}, journal = {Journal of Applied Crystallography}, volume = {57}, pages = {509 – 528}, publisher = {International Union of Crystallography}, abstract = {INSIGHT is a Python-based software tool for processing and reducing 2D grazing-incidence wide- and small-angle X-ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixelwise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time-resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/ GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one-step solution to reduce, process, analyze and export findings of large in situ and operando data sets. © 2024 International Union of Crystallography. All rights reserved.}, note = {Cited by: 5; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close INSIGHT is a Python-based software tool for processing and reducing 2D grazing-incidence wide- and small-angle X-ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixelwise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time-resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/ GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one-step solution to reduce, process, analyze and export findings of large in situ and operando data sets. © 2024 International Union of Crystallography. All rights reserved. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85189931954&doi=10.1107%[...] doi:10.1107/S1600576723011159 Close
38.	Almora, Osbel; Cabrera, Carlos I; Erten-Ela, Sule; Forberich, Karen; Fukuda, Kenjiro; Guo, Fei; Hauch, Jens; Ho-Baillie, Anita W Y; Jacobsson, Jesper T; Janssen, Rene A J; Kirchartz, Thomas; Loi, Maria A; Mathew, Xavier; Mitzi, David B; Nazeeruddin, Mohammad K; Paetzold, Ulrich W; Rand, Barry P; Rau, Uwe; Someya, Takao; Unger, Eva; Vaillant-Roca, Lídice; Brabec, Christoph J: Device Performance of Emerging Photovoltaic Materials (Version 4). In: Advanced Energy Materials, 14 (4), 2024, ISSN: 16146832, (Cited by: 8; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Almora2024, title = {Device Performance of Emerging Photovoltaic Materials (Version 4)}, author = {Osbel Almora and Carlos I Cabrera and Sule Erten-Ela and Karen Forberich and Kenjiro Fukuda and Fei Guo and Jens Hauch and Anita W Y Ho-Baillie and Jesper T Jacobsson and Rene A J Janssen and Thomas Kirchartz and Maria A Loi and Xavier Mathew and David B Mitzi and Mohammad K Nazeeruddin and Ulrich W Paetzold and Barry P Rand and Uwe Rau and Takao Someya and Eva Unger and Lídice Vaillant-Roca and Christoph J Brabec}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179733522&doi=10.1002%2faenm.202303173&partnerID=40&md5=1c0215d482802ecd01505122d7519361}, doi = {10.1002/aenm.202303173}, issn = {16146832}, year = {2024}, date = {2024-01-01}, journal = {Advanced Energy Materials}, volume = {14}, number = {4}, publisher = {John Wiley and Sons Inc}, abstract = {Following the 3rd release of the “Emerging PV reports”, the best achievements in the performance of emerging photovoltaic (e-PV) devices in diverse e-PV research subjects are summarized, as reported in peer-reviewed articles in academic journals since August 2022. Updated graphs, tables, and analyses are provided with several performance parameters, such as power conversion efficiency, open-circuit voltage, short-circuit current density, fill factor, light utilization efficiency, and stability test energy yield. These parameters are presented as a function of the photovoltaic bandgap energy and the average visible transmittance for each technology and application, and are put into perspective using, for example, the detailed balance efficiency limit. The 4th installment of the “Emerging PV reports” discusses the “PV emergence” classification with respect to the “PV technology generations” and “PV research waves” and highlights the latest device performance progress in multijunction and flexible photovoltaics. Additionally, Dale-Scarpulla's plots of efficiency-effort in terms of cumulative academic publication count are also introduced. © 2023 Wiley-VCH GmbH.}, note = {Cited by: 8; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Following the 3rd release of the “Emerging PV reports”, the best achievements in the performance of emerging photovoltaic (e-PV) devices in diverse e-PV research subjects are summarized, as reported in peer-reviewed articles in academic journals since August 2022. Updated graphs, tables, and analyses are provided with several performance parameters, such as power conversion efficiency, open-circuit voltage, short-circuit current density, fill factor, light utilization efficiency, and stability test energy yield. These parameters are presented as a function of the photovoltaic bandgap energy and the average visible transmittance for each technology and application, and are put into perspective using, for example, the detailed balance efficiency limit. The 4th installment of the “Emerging PV reports” discusses the “PV emergence” classification with respect to the “PV technology generations” and “PV research waves” and highlights the latest device performance progress in multijunction and flexible photovoltaics. Additionally, Dale-Scarpulla's plots of efficiency-effort in terms of cumulative academic publication count are also introduced. © 2023 Wiley-VCH GmbH. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179733522&doi=10.1002%[...] doi:10.1002/aenm.202303173 Close
39.	Reus, Manuel A; Baier, Thomas; Lindenmeir, Christoph G; Weinzierl, Alexander F; Buyan-Arivjikh, Altantulga; Wegener, Simon A; Kosbahn, David P; Reb, Lennart K; Rubeck, Jan; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter: Modular slot-die coater for in situ grazing-incidence x-ray scattering experiments on thin films. In: Review of Scientific Instruments, 95 (4), 2024, ISSN: 00346748, (Cited by: 1; All Open Access, Hybrid Gold Open Access). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Reus2024b, title = {Modular slot-die coater for in situ grazing-incidence x-ray scattering experiments on thin films}, author = {Manuel A Reus and Thomas Baier and Christoph G Lindenmeir and Alexander F Weinzierl and Altantulga Buyan-Arivjikh and Simon A Wegener and David P Kosbahn and Lennart K Reb and Jan Rubeck and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85191250978&doi=10.1063%2f5.0204673&partnerID=40&md5=2368b6fa4cd1af9516bc308d5b33c7a5}, doi = {10.1063/5.0204673}, issn = {00346748}, year = {2024}, date = {2024-01-01}, journal = {Review of Scientific Instruments}, volume = {95}, number = {4}, publisher = {American Institute of Physics}, abstract = {Multimodal in situ experiments during slot-die coating of thin films pioneer the way to kinetic studies on thin-film formation. They establish a powerful tool to understand and optimize the formation and properties of thin-film devices, e.g., solar cells, sensors, or LED films. Thin-film research benefits from time-resolved grazing-incidence wide- and small-angle x-ray scattering (GIWAXS/GISAXS) with a sub-second resolution to reveal the evolution of crystal structure, texture, and morphology during the deposition process. Simultaneously investigating optical properties by in situ photoluminescence measurements complements in-depth kinetic studies focusing on a comprehensive understanding of the triangular interdependency of processing, structure, and function for a roll-to-roll compatible, scalable thin-film deposition process. Here, we introduce a modular slot-die coater specially designed for in situ GIWAXS/GISAXS measurements and applicable to various ink systems. With a design for quick assembly, the slot-die coater permits the reproducible and comparable fabrication of thin films in the lab and at the synchrotron using the very same hardware components, as demonstrated in this work by experiments performed at Deutsches Elektronen-Synchrotron (DESY). Simultaneous to GIWAXS/GISAXS, photoluminescence measurements probe optoelectronic properties in situ during thin-film formation. An environmental chamber allows to control the atmosphere inside the coater. Modular construction and lightweight design make the coater mobile, easy to transport, quickly extendable, and adaptable to new beamline environments. © 2024 Author(s).}, note = {Cited by: 1; All Open Access, Hybrid Gold Open Access}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close Multimodal in situ experiments during slot-die coating of thin films pioneer the way to kinetic studies on thin-film formation. They establish a powerful tool to understand and optimize the formation and properties of thin-film devices, e.g., solar cells, sensors, or LED films. Thin-film research benefits from time-resolved grazing-incidence wide- and small-angle x-ray scattering (GIWAXS/GISAXS) with a sub-second resolution to reveal the evolution of crystal structure, texture, and morphology during the deposition process. Simultaneously investigating optical properties by in situ photoluminescence measurements complements in-depth kinetic studies focusing on a comprehensive understanding of the triangular interdependency of processing, structure, and function for a roll-to-roll compatible, scalable thin-film deposition process. Here, we introduce a modular slot-die coater specially designed for in situ GIWAXS/GISAXS measurements and applicable to various ink systems. With a design for quick assembly, the slot-die coater permits the reproducible and comparable fabrication of thin films in the lab and at the synchrotron using the very same hardware components, as demonstrated in this work by experiments performed at Deutsches Elektronen-Synchrotron (DESY). Simultaneous to GIWAXS/GISAXS, photoluminescence measurements probe optoelectronic properties in situ during thin-film formation. An environmental chamber allows to control the atmosphere inside the coater. Modular construction and lightweight design make the coater mobile, easy to transport, quickly extendable, and adaptable to new beamline environments. © 2024 Author(s). Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85191250978&doi=10.1063%[...] doi:10.1063/5.0204673 Close
40.	Huang, Tzu-Yen; Brun, Anton Le P; Sochor, Benedikt; Wu, Chun-Ming; Bulut, Yusuf; Müller-Buschbaum, Peter; Roth, Stephan V; Yang, Yan-Ling: Nanometer-Thick ITIC Bulk Heterojunction Films as Non-Fullerene Acceptors in Organic Solar Cells. In: ACS Applied Nano Materials, 7 (15), pp. 17588 – 17595, 2024, ISSN: 25740970, (Cited by: 0). (Type: Journal Article \| Abstract \| Links \| BibTeX) @article{Huang202417588, title = {Nanometer-Thick ITIC Bulk Heterojunction Films as Non-Fullerene Acceptors in Organic Solar Cells}, author = {Tzu-Yen Huang and Anton P Le Brun and Benedikt Sochor and Chun-Ming Wu and Yusuf Bulut and Peter Müller-Buschbaum and Stephan V Roth and Yan-Ling Yang}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85199690359&doi=10.1021%2facsanm.4c02865&partnerID=40&md5=3a48422082eab27e5ae5e7ac9c337dcd}, doi = {10.1021/acsanm.4c02865}, issn = {25740970}, year = {2024}, date = {2024-01-01}, journal = {ACS Applied Nano Materials}, volume = {7}, number = {15}, pages = {17588 – 17595}, publisher = {American Chemical Society}, abstract = {The nanomorphology of bulk heterojunctions (BHJs) plays a critical role in determining the performance of non-fullerene organic solar cells (OSCs). Thermal annealing is commonly used to reorganize the donor and acceptor phases within the BHJs. In this study, we investigate the vertical morphology of BHJ blend films incorporating the poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3‴-di(2-octyldodecyl)-2,2′;5′,2″;5″,2‴-quaterthiophen-5,5‴-diyl)] (PffBT4T-2OD) polymer as the donor and 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene (ITIC) as the acceptor. Neutron reflectivity patterns and scattering length density profiles reveal that the surface of the BHJ films became diffuse when the annealing temperature was above 150 °C. We further find that mitigated agglomeration of PffBT4T-2OD side chains exhibits minimal impact on morphology post-annealing. Instead, ITIC molecules trigger aggregations, accompanied by interface diffusion and increased film roughness. X-ray scattering confirms a 5-fold increase in aggregated ITIC nanodomains after annealing. Our findings highlight that unstable ITIC phases dominate the BHJ morphology of thin films, leading to the thermal instability of OSCs. This study enhances our understanding of the BHJ morphology and offers insights into improving the performance of energy conversion devices. © 2024 American Chemical Society.}, note = {Cited by: 0}, keywords = {}, pubstate = {published}, tppubtype = {article} } Close The nanomorphology of bulk heterojunctions (BHJs) plays a critical role in determining the performance of non-fullerene organic solar cells (OSCs). Thermal annealing is commonly used to reorganize the donor and acceptor phases within the BHJs. In this study, we investigate the vertical morphology of BHJ blend films incorporating the poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3‴-di(2-octyldodecyl)-2,2′;5′,2″;5″,2‴-quaterthiophen-5,5‴-diyl)] (PffBT4T-2OD) polymer as the donor and 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene (ITIC) as the acceptor. Neutron reflectivity patterns and scattering length density profiles reveal that the surface of the BHJ films became diffuse when the annealing temperature was above 150 °C. We further find that mitigated agglomeration of PffBT4T-2OD side chains exhibits minimal impact on morphology post-annealing. Instead, ITIC molecules trigger aggregations, accompanied by interface diffusion and increased film roughness. X-ray scattering confirms a 5-fold increase in aggregated ITIC nanodomains after annealing. Our findings highlight that unstable ITIC phases dominate the BHJ morphology of thin films, leading to the thermal instability of OSCs. This study enhances our understanding of the BHJ morphology and offers insights into improving the performance of energy conversion devices. © 2024 American Chemical Society. Close https://www.scopus.com/inward/record.uri?eid=2-s2.0-85199690359&doi=10.1021%[...] doi:10.1021/acsanm.4c02865 Close

1389 entries « ‹ 2 of 70 › »

References (last update: Sept. 23, 2024):

1389 entries « ‹ 2 of 28 › »

2024

Glück, Nadja; Hill, Nathan S; Giza, Marcin; Hutter, Eline; Grill, Irene; Schlipf, Johannes; Bach, Udo; Müller-Buschbaum, Peter; Hartschuh, Achim; Bein, Thomas; Savenije, Tom; Docampo, Pablo

The balancing act between high electronic and low ionic transport influenced by perovskite grain boundaries Journal Article

Journal of Materials Chemistry A, 12 (19), pp. 11635 – 11643, 2024, ISSN: 20507488, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Glück202411635,
title = {The balancing act between high electronic and low ionic transport influenced by perovskite grain boundaries},
author = {Nadja Glück and Nathan S Hill and Marcin Giza and Eline Hutter and Irene Grill and Johannes Schlipf and Udo Bach and Peter Müller-Buschbaum and Achim Hartschuh and Thomas Bein and Tom Savenije and Pablo Docampo},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190740879&doi=10.1039%2fd3ta04458k&partnerID=40&md5=a50631442640142864a6324df43aa903},
doi = {10.1039/d3ta04458k},
issn = {20507488},
year = {2024},
date = {2024-01-01},
journal = {Journal of Materials Chemistry A},
volume = {12},
number = {19},
pages = {11635 – 11643},
publisher = {Royal Society of Chemistry},
abstract = {A better understanding of the materials' fundamental physical processes is necessary to push hybrid perovskite photovoltaic devices towards their theoretical limits. The role of the perovskite grain boundaries is essential to optimise the system thoroughly. The influence of the perovskite grain size and crystal orientation on physical properties and their resulting photovoltaic performance is examined. We develop a novel, straightforward synthesis approach that yields crystals of a similar size but allows the tuning of their orientation to either the (200) or (002) facet alignment parallel to the substrate by manipulating dimethyl sulfoxide (DMSO) and tetrahydrothiophene-1-oxide (THTO) ratios. This decouples crystal orientation from grain size, allowing the study of charge carrier mobility, found to be improved with larger grain sizes, highlighting the importance of minimising crystal disorder to achieve efficient devices. However, devices incorporating crystals with the (200) facet exhibit an s-shape in the current density-voltage curve when standard scan rates are used, which typically signals an energetic interfacial barrier. Using the drift-diffusion simulations, we attribute this to slower-moving ions (mobility of 0.37 × 10−10 cm2 V−1 s−1) in combination with a lower density of mobile ions. This counterintuitive result highlights that reducing ion migration does not necessarily minimise hysteresis. © 2024 The Royal Society of Chemistry.},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Belpoliti, Vittorino; Mushtaha, Emad S N; Saleem, Ahmed A; Elmualim, Abbas A

Assessment of Natural Ventilation Techniques by Means of Measurements and Retrospective CFD Simulation on a Test Building Journal Article

Journal of Architectural Engineering, 30 (2), 2024, ISSN: 10760431, (Cited by: 1).

Abstract | Links | BibTeX | Tags:

Duportal, Malo; Berger, Luca M; Maier, Stefan A; Tittl, Andreas; Krischer, Katharina

Multi-band Metasurface-Driven Surface-Enhanced Infrared Absorption Spectroscopy for Improved Characterization of in-Situ Electrochemical Reactions Journal Article

ACS Photonics, 11 (2), pp. 714 – 722, 2024, ISSN: 23304022, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Duportal2024714,
title = {Multi-band Metasurface-Driven Surface-Enhanced Infrared Absorption Spectroscopy for Improved Characterization of in-Situ Electrochemical Reactions},
author = {Malo Duportal and Luca M Berger and Stefan A Maier and Andreas Tittl and Katharina Krischer},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85184770613&doi=10.1021%2facsphotonics.3c01592&partnerID=40&md5=94bbf24388f672981fac4afaeceb54eb},
doi = {10.1021/acsphotonics.3c01592},
issn = {23304022},
year = {2024},
date = {2024-01-01},
journal = {ACS Photonics},
volume = {11},
number = {2},
pages = {714 – 722},
publisher = {American Chemical Society},
abstract = {Surface-enhanced spectroscopy techniques are the method-of-choice to characterize adsorbed intermediates occurring during electrochemical reactions, which are crucial in realizing a green and sustainable future. Characterizing species with low coverage or short lifetimes has so far been limited by low signal enhancement. Recently, single-band metasurface-driven surface-enhanced infrared absorption spectroscopy (SEIRAS) has been pioneered as a promising technology to monitor a single vibrational mode during electrochemical CO oxidation. However, electrochemical reactions are complex, and their understanding requires the simultaneous monitoring of multiple adsorbed species in situ, hampering the adoption of nanostructured electrodes in spectro-electrochemistry. Here, we develop a multi-band nanophotonic-electrochemical platform that simultaneously monitors in situ multiple adsorbed species emerging during cyclic voltammetry scans by leveraging the high resolution offered by the reproducible nanostructuring of the working electrode. Specifically, we studied the electrochemical reduction of CO2 on a Pt surface and used two separately tuned metasurface arrays to monitor two adsorption configurations of CO with vibrational bands at ∼2030 and ∼1840 cm-1. Our platform provides a ∼40-fold enhancement in the detection of characteristic absorption signals compared to conventional broadband electrochemically roughened platinum films. A straightforward methodology is outlined starting with baselining our system in a CO-saturated environment and clearly detecting both configurations of adsorption. In contrast, during the electrochemical reduction of CO2 on platinum in K2CO3, CO adsorbed in a bridged configuration could not be detected. We anticipate that our technology will guide researchers in developing similar sensing platforms to simultaneously detect multiple challenging intermediates, with low surface coverage or short lifetimes. © 2024 The Authors.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Sandner, Daniel; Sun, Kun; Stadlbauer, Anna; Heindl, Markus W; Tan, Qi Ying; Nuber, Matthias; Soci, Cesare; Kienberger, Reinhard; Müller-Buschbaum, Peter; Deschler, Felix; Iglev, Hristo

Hole Localization in Bulk and 2D Lead-Halide Perovskites Studied by Time-Resolved Infrared Spectroscopy Journal Article

Journal of the American Chemical Society, 146 (29), pp. 19852 – 19862, 2024, ISSN: 00027863, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

Weitz, Paul; Wortmann, Jonas; Liu, Chao; Wen, Tian-Jiao; Li, Chang-Zhi; Heumüller, Thomas; Brabec, Christoph J

Photodegradation of Organic Solar Cells under Visible Light and the Crucial Influence of Its Spectral Composition Journal Article

ACS Applied Materials and Interfaces, 16 (28), pp. 36667 – 36677, 2024, ISSN: 19448244, (Cited by: 0).

Abstract | Links | BibTeX | Tags:

von Schwerin, Patrick; Döblinger, Markus; Debnath, Tushar; Feldmann, Jochen; Akkerman, Quinten A

Size-Tunable Manganese-Doped Spheroidal CsPbCl3 Quantum Dots Journal Article

Journal of Physical Chemistry Letters, 15 (14), pp. 3728 – 3732, 2024, ISSN: 19487185, (Cited by: 1).

Abstract | Links | BibTeX | Tags:

Lüer, Larry; Peters, Ian Marius; Corre, Vincent Le M; Forberich, Karen; Guldi, Dirk M; Brabec, Christoph J

Bypassing the Single Junction Limit with Advanced Photovoltaic Architectures Journal Article

Advanced Materials, 36 (14), 2024, ISSN: 09359648, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Lüer2024,
title = {Bypassing the Single Junction Limit with Advanced Photovoltaic Architectures},
author = {Larry Lüer and Ian Marius Peters and Vincent Le M Corre and Karen Forberich and Dirk M Guldi and Christoph J Brabec},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181472658&doi=10.1002%2fadma.202308578&partnerID=40&md5=e8eb93c0dc9596e4be02a75c52d8d4d4},
doi = {10.1002/adma.202308578},
issn = {09359648},
year = {2024},
date = {2024-01-01},
journal = {Advanced Materials},
volume = {36},
number = {14},
publisher = {John Wiley and Sons Inc},
abstract = {Multijunction devices and photon up- and down-conversion are prominent concepts aimed at increasing photovoltaic efficiencies beyond the single junction limit. Integrating these concepts into advanced architectures may address long-standing issues such as processing complexity, microstructure control, and resilience against spectral changes of the incoming radiation. However, so far, no models have been established to predict the performance of such integrated architectures. Here, a simulation environment based on Bayesian optimization is presented, that can predict and virtually optimize the electrical performance of multi-junction architectures, both vertical and lateral, in combination with up- and down-conversion materials. Microstructure effects on performance are explicitly considered using machine-learned predictive models from high throughput experimentation on simpler architectures. Two architectures that would surpass the single junction limit of photovoltaic energy conversion at reasonable complexity are identified: a vertical “staggered half octave system,” where selective absorption allows the use of 6 different bandgaps, and the lateral “overlapping rainbow system” where selective irradiation allows the use of a narrowband energy acceptor with reduced voltage losses, according to the energy gap law. Both architectures would be highly resilient against spectral changes, in contrast with two terminal multi-junction architectures which are limited by Kirchhoff's law. © 2024 The Authors. Advanced Materials published by Wiley-VCH GmbH.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Shi, Zhuojie; Guo, Renjun; Luo, Ran; Wang, Xi; Ma, Jianpeng; Feng, Jiangang; Niu, Xiuxiu; Alvianto, Ezra; Jia, Zhenrong; Guo, Xiao; Liang, Haoming; Chen, Jinxi; Li, Zerui; Sun, Kun; Jiang, Xiongzhuo; Wu, Yuchen; Müller-Buschbaum, Peter; Hu, Wenping; Hou, Yi

“T-shaped” Carbazole Alkylammonium Cation Passivation in Perovskite Solar Cells Journal Article

ACS Energy Letters, 9 (2), pp. 419 – 427, 2024, ISSN: 23808195, (Cited by: 2).

Abstract | Links | BibTeX | Tags:

@article{Shi2024419,
title = {“T-shaped” Carbazole Alkylammonium Cation Passivation in Perovskite Solar Cells},
author = {Zhuojie Shi and Renjun Guo and Ran Luo and Xi Wang and Jianpeng Ma and Jiangang Feng and Xiuxiu Niu and Ezra Alvianto and Zhenrong Jia and Xiao Guo and Haoming Liang and Jinxi Chen and Zerui Li and Kun Sun and Xiongzhuo Jiang and Yuchen Wu and Peter Müller-Buschbaum and Wenping Hu and Yi Hou},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85182560922&doi=10.1021%2facsenergylett.3c02357&partnerID=40&md5=0a62e6746575d83271bd464e2b031996},
doi = {10.1021/acsenergylett.3c02357},
issn = {23808195},
year = {2024},
date = {2024-01-01},
journal = {ACS Energy Letters},
volume = {9},
number = {2},
pages = {419 – 427},
publisher = {American Chemical Society},
abstract = {Incorporating alkylammonium cations atop the 3D perovskite enables effective defect passivation and significantly enhances the power conversion efficiency of perovskite solar cells. However, the diversity and durability of this passivation strategy have been limited to the ligand type and diffusion of ligands due to high reactivity. Here, we designed bulky “T-shaped” conjugated carbazole alkylammonium cations with inner π-π interaction and enlarged steric hindrance to minimize ligand diffusion while maintaining passivation effects. As verified by grazing incidence X-ray diffraction and transient absorption spectra, these “T-shaped” passivators could keep a stable intrinsic crystal phase on the perovskite surface after thermal aging. Additionally, the devices utilizing these organic semiconductor-based “T-shaped” ligands were relatively constant in series resistance and introduced higher hole mobility than the PEAI. Finally, the champion device using the “T-shaped” passivator achieved a maximum device efficiency of 25.1% with improved operational stability under 1 sun illumination. © 2024 American Chemical Society.},
note = {Cited by: 2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Seoneray, Isabel; Wu, Jianchang; Rocha-Ortiz, Juan S; Bornschlegl, Andreas J; Barabash, Anastasia; Wang, Yunuo; Lüer, Larry; Hauch, Jens; García, Angélica; Zapata-Rivera, Jhon; Brabec, Christoph J; Ortiz, Alejandro

Unveiling the Role of BODIPY Dyes as Small-Molecule Hole Transport Material in Inverted Planar Perovskite Solar Cells Journal Article

Solar RRL, 8 (12), 2024, ISSN: 2367198X, (Cited by: 0).

Abstract | Links | BibTeX | Tags: Cell engineering; Conversion efficiency; Hole mobility; Perovskite; Aryl amines; BODIPY; Device performance; Device stability; Hole transport materials; Hole-transporting materials; Hotspots; Interfacial layer; Power conversion efficiencies; Small molecules; Perovskite solar cells

@article{Seoneray2024,
title = {Unveiling the Role of BODIPY Dyes as Small-Molecule Hole Transport Material in Inverted Planar Perovskite Solar Cells},
author = {Isabel Seoneray and Jianchang Wu and Juan S Rocha-Ortiz and Andreas J Bornschlegl and Anastasia Barabash and Yunuo Wang and Larry Lüer and Jens Hauch and Angélica García and Jhon Zapata-Rivera and Christoph J Brabec and Alejandro Ortiz},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193821130&doi=10.1002%2fsolr.202400225&partnerID=40&md5=99d409271145c3efe5fccf3a52ce2e17},
doi = {10.1002/solr.202400225},
issn = {2367198X},
year = {2024},
date = {2024-01-01},
journal = {Solar RRL},
volume = {8},
number = {12},
publisher = {John Wiley and Sons Inc},
abstract = {Perovskite solar cells (PSCs) have become a research hotspot since their dramatic increase in power conversion efficiency (PCE), surpassing 26% due to advances in cell engineering and interfacial layers. Within the last factor, hole transporting materials play a crucial role in enhancing device performance and stability. Among several molecular building blocks, BODIPYs are attractive for the design of novel hole transporting material (HTMs) due to their outstanding photophysical and charge transport properties easily tuned by synthetic modifications. Herein, the synthesis of five new BODIPY-based HTMs PyBDP 1–5 are reported, functionalized at the meso- and α- positions with pyrenyl and arylamino units, respectively. The resulting compounds exhibit broad absorption in the visible region, remarkable thermal stability, narrow bandgaps, suitable energy levels, and good hole extraction capability, as subtracted from experimental and computational characterizations. The performance of the BODIPY derivatives as HTMs is evaluated in planar inverted (p-i-n) PSCs and compared to commonly used PTAA, resulting in highly efficient systems, reaching PCEs very close to that obtained with the reference polymer (21.51%). The incorporation of these BODIPY-based HTMs result in an outstanding PCE of 20.37% for devices including PyBDP-1 and 19.97% for devises containing PyBDP-3, thus demonstrating that BODIPY derivatives are a promising alternative to obtain simple and efficient organic HTMs. © 2024 Wiley-VCH GmbH.},
note = {Cited by: 0},
keywords = {Cell engineering; Conversion efficiency; Hole mobility; Perovskite; Aryl amines; BODIPY; Device performance; Device stability; Hole transport materials; Hole-transporting materials; Hotspots; Interfacial layer; Power conversion efficiencies; Small molecules; Perovskite solar cells},
pubstate = {published},
tppubtype = {article}
}

Tirole, Romain; Tilmann, Benjamin; de Menezes, Leonardo S; Vezzoli, Stefano; Sapienza, Riccardo; Maier, Stefan A

Nonlinear Dielectric Epsilon Near-Zero Hybrid Nanogap Antennas Journal Article

Advanced Optical Materials, 12 (9), 2024, ISSN: 21951071, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Tirole2024,
title = {Nonlinear Dielectric Epsilon Near-Zero Hybrid Nanogap Antennas},
author = {Romain Tirole and Benjamin Tilmann and Leonardo S de Menezes and Stefano Vezzoli and Riccardo Sapienza and Stefan A Maier},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85185515572&doi=10.1002%2fadom.202302069&partnerID=40&md5=25f5633c773158d5987a66a206309798},
doi = {10.1002/adom.202302069},
issn = {21951071},
year = {2024},
date = {2024-01-01},
journal = {Advanced Optical Materials},
volume = {12},
number = {9},
publisher = {John Wiley and Sons Inc},
abstract = {High-index Mie-resonant dielectric nanostructures provide a new framework to manipulate light at the nanoscale. In particular their local field confinement together with their inherently low losses at frequencies below their bandgap energy allows to efficiently boost and control linear and nonlinear optical processes. Here, nanoantennas composed of a thin indium-tin oxide (ITO) layer in the center of a dielectric gallium phosphide (GaP) nanodisc are investigated. While the linear response is similar to that of a pure GaP nanodisc, it is shown that second harmonic generation is enhanced across a broadband wavelength range. On the other hand, third harmonic generation is only marginally enhanced around the epsilon-near-zero wavelength of ITO. Linear and nonlinear finite-difference time-domain simulations show that despite the high refractive index contrast leading to strong field confinement inside the antenna's ITO layer, the nanogap enhancement effect is mitigated by the low nonlinear volume of the nanogap layer and the antenna's behavior at the harmonic wavelength. Measurement of ITO and GaP nonlinear susceptibilities additionally show a comparative advantage for harmonic generation in GaP. These investigations deliver insights on the mechanisms at play in nonlinear nanogap antennas and their potential applications as nanoscale devices. © 2024 The Authors. Advanced Optical Materials published by Wiley-VCH GmbH.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Gruber, Christoph G; Frey, Laura; Guntermann, Roman; Medina, Dana D; Cortés, Emiliano

Early stages of covalent organic framework formation imaged in operando Journal Article

Nature, 630 (8018), pp. 872 – 877, 2024, ISSN: 00280836, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags: Catalysis; Emulsions; Interferometry; Kinetics; Light; Microscopy; Polymerization; Scattering

@article{Gruber2024872,
title = {Early stages of covalent organic framework formation imaged in operando},
author = {Christoph G Gruber and Laura Frey and Roman Guntermann and Dana D Medina and Emiliano Cortés},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85195313423&doi=10.1038%2fs41586-024-07483-0&partnerID=40&md5=1f3ff910ff4628e063fe30f3abd6cb8e},
doi = {10.1038/s41586-024-07483-0},
issn = {00280836},
year = {2024},
date = {2024-01-01},
journal = {Nature},
volume = {630},
number = {8018},
pages = {872 – 877},
publisher = {Nature Research},
abstract = {Covalent organic frameworks (COFs) are a functional material class able to harness, convert and store energy. However, after almost 20 years of research, there are no coherent prediction rules for their synthesis conditions. This is partly because of an incomplete picture of nucleation and growth at the early stages of formation. Here we use the optical technique interferometric scattering microscopy (iSCAT)1–3 for in operando studies of COF polymerization and framework formation. We observe liquid–liquid phase separation, pointing to the existence of structured solvents in the form of surfactant-free (micro)emulsions in conventional COF synthesis. Our findings show that the role of solvents extends beyond solubility to being kinetic modulators by compartmentation of reactants and catalyst. Taking advantage of these observations, we develop a synthesis protocol for COFs using room temperature instead of elevated temperatures. This work connects framework synthesis with liquid phase diagrams and thereby enables an active design of the reaction environment, emphasizing that visualization of chemical reactions by means of light-scattering-based techniques can be a powerful approach for advancing rational materials synthesis. © The Author(s) 2024.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {Catalysis; Emulsions; Interferometry; Kinetics; Light; Microscopy; Polymerization; Scattering},
pubstate = {published},
tppubtype = {article}
}

Zou, Yuqin; Eichhorn, Johanna; Zhang, Jiyun; Apfelbeck, Fabian A C; Yin, Shanshan; Wolz, Lukas; Chen, Chun-Chao; Sharp, Ian D; Müller-Buschbaum, Peter

Microstrain and Crystal Orientation Variation within Naked Triple-Cation Mixed Halide Perovskites under Heat, UV, and Visible Light Exposure Journal Article

ACS Energy Letters, 9 (2), pp. 388 – 399, 2024, ISSN: 23808195, (Cited by: 5; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Zou2024388,
title = {Microstrain and Crystal Orientation Variation within Naked Triple-Cation Mixed Halide Perovskites under Heat, UV, and Visible Light Exposure},
author = {Yuqin Zou and Johanna Eichhorn and Jiyun Zhang and Fabian A C Apfelbeck and Shanshan Yin and Lukas Wolz and Chun-Chao Chen and Ian D Sharp and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85182585402&doi=10.1021%2facsenergylett.3c02617&partnerID=40&md5=0ea17b72520b6255fc9fccdcc056a6f6},
doi = {10.1021/acsenergylett.3c02617},
issn = {23808195},
year = {2024},
date = {2024-01-01},
journal = {ACS Energy Letters},
volume = {9},
number = {2},
pages = {388 – 399},
publisher = {American Chemical Society},
abstract = {The instability of perovskite absorbers under various environmental stressors is the most significant obstacle to widespread commercialization of perovskite solar cells. Herein, we study the evolution of crystal structure and microstrain present in naked triple-cation mixed CsMAFA-based perovskite films under heat, UV, and visible light (1 Sun) conditions by grazing-incidence wide-angle X-ray scattering (GIWAXS). We find that the microstrain is gradient distributed along the surface normal of the films, decreasing from the upper surface to regions deeper within the film. Moreover, heat, UV, and visible light treatments do not interfere with the crystalline orientations within annealed polycrystalline films. However, when subjected to heat, the naked perovskite films exhibit a rapid component decomposition, induced by phase separation and ion migration. Conversely, under exposure to UV and 1 Sun light soaking, the naked perovskite films undergo a self-optimization structure evolution during degradation and develop into smoother films with reduced surface potential fluctuations. © 2024 The Authors. Published by American Chemical Society.},
note = {Cited by: 5; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Li, Yanan; Li, Nian; Harder, Constantin; Yin, Shanshan; Bulut, Yusuf; Vagias, Apostolos; Schneider, Peter M; Chen, Wei; Roth, Stephan V; Bandarenka, Aliaksandr S; Müller-Buschbaum, Peter

Factors Shaping the Morphology in Sol-Gel Derived Mesoporous Zinc Titanate Films: Unveiling the Role of Precursor Competition and Concentration Journal Article

Advanced Materials Interfaces, 2024, ISSN: 21967350, (Cited by: 0; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Li2024,
title = {Factors Shaping the Morphology in Sol-Gel Derived Mesoporous Zinc Titanate Films: Unveiling the Role of Precursor Competition and Concentration},
author = {Yanan Li and Nian Li and Constantin Harder and Shanshan Yin and Yusuf Bulut and Apostolos Vagias and Peter M Schneider and Wei Chen and Stephan V Roth and Aliaksandr S Bandarenka and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202997412&doi=10.1002%2fadmi.202400215&partnerID=40&md5=24200471c1385cf1b1833f9aaee468ef},
doi = {10.1002/admi.202400215},
issn = {21967350},
year = {2024},
date = {2024-01-01},
journal = {Advanced Materials Interfaces},
publisher = {John Wiley and Sons Inc},
abstract = {Zinc titanate films with mesoporous structures have widespread applications ranging from sensors to supercapacitors and bio-devices owing to their photoelectric properties and specific surface area. The present work investigates the morphology of mesoporous zinc titanate films obtained by calcination of hybrid thin films containing polymer templates and precursor mixtures of zinc acetate dihydrate (ZAD) and titanium isopropoxide (TTIP). ZnO and TiO2 films are fabricated for reference. The influences of hydrochloric acid contents (HCl), the ratios of ZAD and TTIP, and the solution concentrations on the film morphologies are studied. The amphiphilic diblock copolymer, polystyrene-block-polyethylene oxide (PS-b-PEO), plays the role of a structure directing template, as it self-assembles into micelles in a solvent-acid mixture of N, N-dimethylformamide (DMF) and HCl. Thin films are prepared with spin-coating and subsequent calcination. Adjusting the ratio of TTIP and ZAD leads to the structure evolution from order to disorder in a film. It depends on the hydrolysis and condensation processes of the precursors, providing different time-to-growth processes to control the film morphologies. An increase in solution concentration enhances the surface coverage. As probed with grazing-incidence small-angle X-ray scattering, the inner structures are larger than the surface structures seen in scanning electron microscopy. © 2024 The Author(s). Advanced Materials Interfaces published by Wiley-VCH GmbH.},
note = {Cited by: 0; All Open Access, Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Tagliabue, Giulia; Atwater, Harry A; Polman, Albert; Cortés, Emiliano

Photonic solutions help fight climate crisis Journal Article

Nature Photonics, 18 (9), pp. 879 – 882, 2024, ISSN: 17494885, (Cited by: 0).

Abstract | Links | BibTeX | Tags:

Zeitz, Sabine; Antoniuk, Hanna; Hlukhyy, Viktor; Fässler, T F

Electronic Structure Analysis of the A10Tt2P6 System (A=Li−Cs; Tt=Si, Ge, Sn) and Synthesis of the Direct Band Gap Semiconductor K10Sn2P6 Journal Article

Chemistry - A European Journal, 30 (22), 2024, ISSN: 09476539, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Zeitz2024,
title = {Electronic Structure Analysis of the A10Tt2P6 System (A=Li−Cs; Tt=Si, Ge, Sn) and Synthesis of the Direct Band Gap Semiconductor K10Sn2P6},
author = {Sabine Zeitz and Hanna Antoniuk and Viktor Hlukhyy and T F Fässler},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85186631554&doi=10.1002%2fchem.202400002&partnerID=40&md5=ebb25cbb880a47a7cac2414675521fbf},
doi = {10.1002/chem.202400002},
issn = {09476539},
year = {2024},
date = {2024-01-01},
journal = {Chemistry - A European Journal},
volume = {30},
number = {22},
publisher = {John Wiley and Sons Inc},
abstract = {Investigating the relationship between atomic and electronic structures is a powerful tool to screen the wide variety of Zintl phases for interesting (opto−)electronic properties. To get an insight in such relations, the A10Tt2P6 system (A=Li−Cs; Tt=Si−Sn) was picked as model system to analyse the influence of structural motives, combination of elements and their properties on type and width of the band gaps. Those compounds comprise two interesting structural motives of their anions, which are either monomeric trigonal planar TtP35− units which are isostructural to CO32− or [Tt2P6]10− dimers which correspond to two edge-sharing TtP4 tetrahedra. The A10Tt2P6 compounds were structurally optimized for both polymorphs and subsequent frequency analysis, band structure as well as density of states calculations were performed. The Gibbs free energies were compared to determine temperature dependent stability, where Na10Si2P6, Na10Ge2P6 and K10Sn2P6 were found to be candidates for a high temperature phase transition between the two polymorphs. Additionally, the unknown, but predicted compound K10Sn2P6 was synthesized and characterized by single crystal and powder x-ray diffraction. It crystalizes in the monoclinic space group P 21/n and incorporates [Sn2P6]10− edge sharing double tetrahedra. It was determined to be a direct band gap semiconductor with a band gap of 2.57 eV. © 2024 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Martin, Stefan; Henke, Nina A; Lampe, Carola; Döblinger, Markus; Frank, Kilian; Ganswindt, Patrick; Nickel, Bert; Urban, Alexander S

Fine-Tuning Blue-Emitting Halide Perovskite Nanocrystals Journal Article

Advanced Optical Materials, 12 (8), 2024, ISSN: 21951071, (Cited by: 2; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags: Bromine compounds; Lead compounds; Perovskite; Photoluminescence; Sols; 'current; Blue-emission; Blue-emitting; Fine tuning; Halide perovskites; Lead halide perovskite; Red shift; Red-emitting; Visible range; Wavelength ranges; Nanocrystals

@article{Martin2024,
title = {Fine-Tuning Blue-Emitting Halide Perovskite Nanocrystals},
author = {Stefan Martin and Nina A Henke and Carola Lampe and Markus Döblinger and Kilian Frank and Patrick Ganswindt and Bert Nickel and Alexander S Urban},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85166277902&doi=10.1002%2fadom.202301009&partnerID=40&md5=a48da52a47eb3a44b40bd173bd529c8f},
doi = {10.1002/adom.202301009},
issn = {21951071},
year = {2024},
date = {2024-01-01},
journal = {Advanced Optical Materials},
volume = {12},
number = {8},
publisher = {John Wiley and Sons Inc},
abstract = {Lead halide perovskite nanocrystals (NCs) with narrow, bright emission in the visible range are promising candidates for light-emitting applications. Near-unity quantum yields have been realized for green and red-emitting perovskites, but efficient, stable blue-emitting perovskite materials are scarce. Current methods to synthesize quantum-confined CsPbBr3 NCs with blue emission are limited to specific wavelength ranges and still suffer from inhomogeneously broadened emission profiles. Herein, anisotropic blue-green emitting CsPbBr3 NCs are synthesized in ambient atmosphere using a spontaneous crystallization method. Optical spectroscopy reveals a gradual, asymptotic photoluminescence (PL) redshift of pristine colloidal NCs after synthesis. During this process, the emission quality improves notably as the PL spectra become narrower and more symmetric, accompanied by a PL intensity increase. Electron microscopy indicates that the gradual redshift stems from an isotropic growth of the CsPbBr3 NCs in at least two dimensions, likely due to residual precursor ions in the dispersion. Most importantly, the growth process can be halted at any point by injecting an enhancement solution containing PbBr2 and organic capping ligands. Thus, excellent control over NC size is achieved, allowing for nanometer-precise tunability of the respective emission wavelength in the range between 475 and 500 nm, enhancing the functionality of these already impressive NCs. © 2023 The Authors. Advanced Optical Materials published by Wiley-VCH GmbH.},
note = {Cited by: 2; All Open Access, Hybrid Gold Open Access},
keywords = {Bromine compounds; Lead compounds; Perovskite; Photoluminescence; Sols; 'current; Blue-emission; Blue-emitting; Fine tuning; Halide perovskites; Lead halide perovskite; Red shift; Red-emitting; Visible range; Wavelength ranges; Nanocrystals},
pubstate = {published},
tppubtype = {article}
}

Wang, Xiao; Song, Zhulu; Tang, Haodong; Li, Yiwen; Zhong, Huaying; Wu, Jiufeng; Wang, Weichao; Chen, Simin; Zhang, Wenjie; Fang, Fan; Hao, Junjie; Wu, Dan; Müller-Buschbaum, Peter; Cao, Leifeng; Tang, Zeguo; Tang, Jun; Zhang, Lei; Wang, Kai; Chen, Wei

Synergic Surface Modifications of PbS Quantum Dots by Sodium Acetate in Solid-State Ligand Exchange toward Short-Wave Infrared Photodetectors Journal Article

ACS Applied Materials and Interfaces, 16 (33), pp. 44164 – 44173, 2024, ISSN: 19448244, (Cited by: 0).

Abstract | Links | BibTeX | Tags:

@article{Wang202444164,
title = {Synergic Surface Modifications of PbS Quantum Dots by Sodium Acetate in Solid-State Ligand Exchange toward Short-Wave Infrared Photodetectors},
author = {Xiao Wang and Zhulu Song and Haodong Tang and Yiwen Li and Huaying Zhong and Jiufeng Wu and Weichao Wang and Simin Chen and Wenjie Zhang and Fan Fang and Junjie Hao and Dan Wu and Peter Müller-Buschbaum and Leifeng Cao and Zeguo Tang and Jun Tang and Lei Zhang and Kai Wang and Wei Chen},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85200660501&doi=10.1021%2facsami.4c05201&partnerID=40&md5=baefce52a6b84c4109ba1157021e248e},
doi = {10.1021/acsami.4c05201},
issn = {19448244},
year = {2024},
date = {2024-01-01},
journal = {ACS Applied Materials and Interfaces},
volume = {16},
number = {33},
pages = {44164 – 44173},
publisher = {American Chemical Society},
abstract = {PbS quantum dots (QDs) are promising for short-wave infrared (SWIR) photodetection and imaging. Solid-state ligand exchange (SSLE) is a low-fabrication-threshold QD solid fabrication method. However, QD treatment by SSLE remains challenging in seeking refined surface passivation to achieve the desired device performance. This work investigates using NaAc in the ligand exchange process to enhance the film morphology and electronic coupling configuration of QD solids. By implementing various film and photodetector device characterization studies, we confirm that adding NaAc with a prominent adding ratio of 20 wt % NaAc with tetrabutylammonium iodide (TBAI) in the SSLE leads to an improved film morphology, reduced surface roughness, and decreased trap states in the QD solid films. Moreover, compared to the devices without NaAc treatment, those fabricated with NaAc-treated QD solids exhibit an enhanced performance, including lower dark current density (<100 nA/cm2), faster response speed, higher responsivity, detectivity, and external quantum efficiency (EQE reaching 25%). The discoveries can be insightful in developing efficient, low-cost, and low-fabrication-threshold QD SWIR detection and imager applications. © 2024 American Chemical Society.},
note = {Cited by: 0},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Ye, Junzhi; Ren, Aobo; Dai, Linjie; Baikie, Tomi K; Guo, Renjun; Pal, Debapriya; Gorgon, Sebastian; Heger, Julian E; Huang, Junyang; Sun, Yuqi; Arul, Rakesh; Grimaldi, Gianluca; Zhang, Kaiwen; Shamsi, Javad; Huang, Yi-Teng; Wang, Hao; Wu, Jiang; Koenderink, Femius A; Murciano, Laura Torrente; Schwartzkopf, Matthias; Roth, Stephen V; Müller-Buschbaum, Peter; Baumberg, Jeremy J; Stranks, Samuel D; Greenham, Neil C; Polavarapu, Lakshminarayana; Zhang, Wei; Rao, Akshay; Hoye, Robert L Z

Direct linearly polarized electroluminescence from perovskite nanoplatelet superlattices Journal Article

Nature Photonics, 18 (6), pp. 586 – 594, 2024, ISSN: 17494885, (Cited by: 7; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Ye2024586,
title = {Direct linearly polarized electroluminescence from perovskite nanoplatelet superlattices},
author = {Junzhi Ye and Aobo Ren and Linjie Dai and Tomi K Baikie and Renjun Guo and Debapriya Pal and Sebastian Gorgon and Julian E Heger and Junyang Huang and Yuqi Sun and Rakesh Arul and Gianluca Grimaldi and Kaiwen Zhang and Javad Shamsi and Yi-Teng Huang and Hao Wang and Jiang Wu and Femius A Koenderink and Laura Torrente Murciano and Matthias Schwartzkopf and Stephen V Roth and Peter Müller-Buschbaum and Jeremy J Baumberg and Samuel D Stranks and Neil C Greenham and Lakshminarayana Polavarapu and Wei Zhang and Akshay Rao and Robert L Z Hoye},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85187263533&doi=10.1038%2fs41566-024-01398-y&partnerID=40&md5=bb785e2bc894354da69907057298694e},
doi = {10.1038/s41566-024-01398-y},
issn = {17494885},
year = {2024},
date = {2024-01-01},
journal = {Nature Photonics},
volume = {18},
number = {6},
pages = {586 – 594},
publisher = {Nature Research},
abstract = {Polarized light is critical for a wide range of applications, but is usually generated by filtering unpolarized light, which leads to substantial energy losses and requires additional optics. Here we demonstrate the direct emission of linearly polarized light from light-emitting diodes made of CsPbI3 perovskite nanoplatelet superlattices. The use of solvents with different vapour pressures enables the self-assembly of the nanoplatelets with fine control over their orientation (either face-up or edge-up) and therefore their transition dipole moment. As a result of the highly uniform alignment of the nanoplatelets, as well as their strong quantum and dielectric confinement, large exciton fine-structure splitting is achieved at the film level, leading to pure red light-emitting diodes with linearly polarized electroluminescence exhibiting a high degree of polarization of 74.4% without any photonic structures. This work demonstrates the potential of perovskite nanoplatelets as a promising source of linearly polarized light, opening up the development of next-generation three-dimensional displays and optical communications from a highly versatile, solution-processable system. © The Author(s) 2024.},
note = {Cited by: 7; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Wei, Weifei; Zhang, Cai'e; Chen, Zhanxiang; Chen, Wei; Ran, Guangliu; Pan, Guangjiu; Zhang, Wenkai; Müller-Buschbaum, Peter; Bo, Zhishan; Yang, Chuluo; Luo, Zhenghui

Precise Methylation Yields Acceptor with Hydrogen-Bonding Network for High-Efficiency and Thermally Stable Polymer Solar Cells Journal Article

Angewandte Chemie - International Edition, 63 (6), 2024, ISSN: 14337851, (Cited by: 19).

Abstract | Links | BibTeX | Tags:

@article{Wei2024,
title = {Precise Methylation Yields Acceptor with Hydrogen-Bonding Network for High-Efficiency and Thermally Stable Polymer Solar Cells},
author = {Weifei Wei and Cai'e Zhang and Zhanxiang Chen and Wei Chen and Guangliu Ran and Guangjiu Pan and Wenkai Zhang and Peter Müller-Buschbaum and Zhishan Bo and Chuluo Yang and Zhenghui Luo},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181213994&doi=10.1002%2fanie.202315625&partnerID=40&md5=61eda71a3c5910fe8f8ded4ae326377c},
doi = {10.1002/anie.202315625},
issn = {14337851},
year = {2024},
date = {2024-01-01},
journal = {Angewandte Chemie - International Edition},
volume = {63},
number = {6},
publisher = {John Wiley and Sons Inc},
abstract = {Utilizing intermolecular hydrogen-bonding interactions stands for an effective approach in advancing the efficiency and stability of small-molecule acceptors (SMAs) for polymer solar cells. Herein, we synthesized three SMAs (Qo1, Qo2, and Qo3) using indeno[1,2-b]quinoxalin-11-one (Qox) as the electron-deficient group, with the incorporation of a methylation strategy. Through crystallographic analysis, it is observed that two Qox-based methylated acceptors (Qo2 and Qo3) exhibit multiple hydrogen bond-assisted 3D network transport structures, in contrast to the 2D transport structure observed in gem-dichlorinated counterpart (Qo4). Notably, Qo2 exhibits multiple and stronger hydrogen-bonding interactions compared with Qo3. Consequently, PM6 : Qo2 device realizes the highest power conversion efficiency (PCE) of 18.4 %, surpassing the efficiencies of devices based on Qo1 (15.8 %), Qo3 (16.7 %), and Qo4 (2.4 %). This remarkable PCE in PM6 : Qo2 device can be primarily ascribed to the enhanced donor-acceptor miscibility, more favorable medium structure, and more efficient charge transfer and collection behavior. Moreover, the PM6 : Qo2 device demonstrates exceptional thermal stability, retaining 82.8 % of its initial PCE after undergoing annealing at 65 °C for 250 hours. Our research showcases that precise methylation, particularly targeting the formation of intermolecular hydrogen-bonding interactions to tune crystal packing patterns, represents a promising strategy in the molecular design of efficient and stable SMAs. © 2023 Wiley-VCH GmbH.},
note = {Cited by: 19},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Bornschlegl, Andreas J; Lichtenegger, Michael F; Luber, Leo; Lampe, Carola; Bodnarchuk, Maryna I; Kovalenko, Maksym V; Urban, Alexander S

Dark-Bright Exciton Splitting Dominates Low-Temperature Diffusion in Halide Perovskite Nanocrystal Assemblies Journal Article

Advanced Energy Materials, 14 (10), 2024, ISSN: 16146832, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Bornschlegl2024,
title = {Dark-Bright Exciton Splitting Dominates Low-Temperature Diffusion in Halide Perovskite Nanocrystal Assemblies},
author = {Andreas J Bornschlegl and Michael F Lichtenegger and Leo Luber and Carola Lampe and Maryna I Bodnarchuk and Maksym V Kovalenko and Alexander S Urban},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85184213678&doi=10.1002%2faenm.202303312&partnerID=40&md5=c6bc3f429d04fb527a68b3f4f6ca965a},
doi = {10.1002/aenm.202303312},
issn = {16146832},
year = {2024},
date = {2024-01-01},
journal = {Advanced Energy Materials},
volume = {14},
number = {10},
publisher = {John Wiley and Sons Inc},
abstract = {Semiconductor nanocrystals can replace conventional bulk materials completely in displays and light-emitting diodes. Exciton transport dominates over charge carrier transport for materials with high exciton binding energies and long ligands, such as halide perovskite nanocrystal films. Here, how beneficial superlattices – nearly perfect 3D assemblies of nanocrystals - are to exciton transport is investigated. Surprisingly, the high degree of order is not as crucial as the individual nanocrystal size, which strongly influences the splitting of the excitonic manifold into bright and dark states. At very low temperatures, the energetic splitting is larger for the smallest nanocrystals, and dark levels with low oscillator strength effectively trap excitons inside individual nanocrystals, suppressing diffusion. The effect is reversed at elevated temperatures, and the larger nanocrystal size becomes detrimental to exciton transport due to enhanced exciton trapping and dissociation. The results reveal that the nanocrystal size must be strongly accounted for in design strategies of future optoelectronic applications. © 2024 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Wu, Lin; Holzapfel, Marco; Schmiedel, Alexander; Peng, Fuwei; Moos, Michael; Mentzel, Paul; Shi, Junqing; Neubert, Thomas; Bertermann, Rüdiger; Finze, Maik; Fox, Mark A; Lambert, Christoph; Ji, Lei

Optically induced charge-transfer in donor-acceptor-substituted p- and m- C2B10H12 carboranes Journal Article

Nature Communications, 15 (1), 2024, ISSN: 20411723, (Cited by: 0; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags: absorption; cluster analysis; experimental study; fluorescence; quantum mechanics; absorption; article; chromatophore; conjugation; controlled study; fluorescence; mechanical torsion

@article{Wu2024,
title = {Optically induced charge-transfer in donor-acceptor-substituted p- and m- C2B10H12 carboranes},
author = {Lin Wu and Marco Holzapfel and Alexander Schmiedel and Fuwei Peng and Michael Moos and Paul Mentzel and Junqing Shi and Thomas Neubert and Rüdiger Bertermann and Maik Finze and Mark A Fox and Christoph Lambert and Lei Ji},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85189755489&doi=10.1038%2fs41467-024-47384-4&partnerID=40&md5=ac794280c62a604ec17bc06515d9f169},
doi = {10.1038/s41467-024-47384-4},
issn = {20411723},
year = {2024},
date = {2024-01-01},
journal = {Nature Communications},
volume = {15},
number = {1},
publisher = {Nature Research},
abstract = {Icosahedral carboranes, C2B10H12, have long been considered to be aromatic but the extent of conjugation between these clusters and their substituents is still being debated. m- and p-Carboranes are compared with m- and p-phenylenes as conjugated bridges in optical functional chromophores with a donor and an acceptor as substituents here. The absorption and fluorescence data for both carboranes from experimental techniques (including femtosecond transient absorption, time-resolved fluorescence and broadband fluorescence upconversion) show that the absorption and emission processes involve strong intramolecular charge transfer between the donor and acceptor substituents via the carborane cluster. From quantum chemical calculations on these carborane systems, the charge transfer process depends on the relative torsional angles of the donor and acceptor groups where an overlap between the two frontier orbitals exists in the bridging carborane cluster. © The Author(s) 2024.},
note = {Cited by: 0; All Open Access, Gold Open Access},
keywords = {absorption; cluster analysis; experimental study; fluorescence; quantum mechanics; absorption; article; chromatophore; conjugation; controlled study; fluorescence; mechanical torsion},
pubstate = {published},
tppubtype = {article}
}

Erratum: Controlling Interchromophore Coupling in Diamantane-Linked Pentacene Dimers To Create a ‘Binary’ Pair (J. Am. Chem. Soc. 2024, 146 (15) (10875−10888) DOI: 10.1021/jacs.4c01507) Journal Article

Journal of the American Chemical Society, 2024, ISSN: 00027863, (Cited by: 0).

Abstract | Links | BibTeX | Tags: erratum; human

Zhang, Wenhao; Deng, Meihui; Xiong, Qingqing

Evaluation of energy performance in positive energy building: X HOUSE at Solar Decathlon Middle East 2021 Journal Article

Renewable and Sustainable Energy Reviews, 192 , 2024, ISSN: 13640321, (Cited by: 2).

Abstract | Links | BibTeX | Tags:

@article{Zhang2024b,
title = {Evaluation of energy performance in positive energy building: X HOUSE at Solar Decathlon Middle East 2021},
author = {Wenhao Zhang and Meihui Deng and Qingqing Xiong},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180980490&doi=10.1016%2fj.rser.2023.114163&partnerID=40&md5=240248692cb2dc543fa704b9018cdc70},
doi = {10.1016/j.rser.2023.114163},
issn = {13640321},
year = {2024},
date = {2024-01-01},
journal = {Renewable and Sustainable Energy Reviews},
volume = {192},
publisher = {Elsevier Ltd},
abstract = {Internationally known as the “Olympics of Sustainable Building”, Solar Decathlon Middle East 2021 is the first competition linked to a world EXPO. The competition requests teams to design, build and operate a zero-energy house to drive the buildings and cities in the Middle East to transform into sustainable and intelligent ones. X HOUSE took first place in the Solar Decathlon Middle East 2021 and won eight contests. This article analyzes how the simulation optimization guides the design of X HOUSE to achieve higher energy efficiency and comfort conditions in terms of passive and active design strategies and solar energy utilization. It verifies the effectiveness of the simulation by a detailed analysis based on the monitored data at the competition site in Dubai. It also studies how house management strategies can improve the actual energy performance of X HOUSE. The analysis results show that the X HOUSE is a Positive Energy Building with highly efficient comfort and energy performance, it has strong power accommodation ability for peak shaving without relying on the grid, and it provides satisfactory thermal, ventilation, luminous, acoustics and healthy environment as well as a fully functional and flexible space. It provides a reference and methodology for the design of PEBs and sustainable development in the Middle East. © 2023 Elsevier Ltd},
note = {Cited by: 2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Petry, Jannik; Erabhoina, Harimohan; Dietel, Markus; Thelakkat, Mukundan

Comparative Study of the Mechanical Reinforcement by Blending, Filling, and Block Copolymerization in Bottlebrush Polymer Electrolytes Journal Article

ACS Applied Polymer Materials, 6 (9), pp. 5109 – 5120, 2024, ISSN: 26376105, (Cited by: 1).

Abstract | Links | BibTeX | Tags:

@article{Petry20245109,
title = {Comparative Study of the Mechanical Reinforcement by Blending, Filling, and Block Copolymerization in Bottlebrush Polymer Electrolytes},
author = {Jannik Petry and Harimohan Erabhoina and Markus Dietel and Mukundan Thelakkat},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85192170375&doi=10.1021%2facsapm.4c00161&partnerID=40&md5=597ae552d34b94ce7326c6e10b4d4ec9},
doi = {10.1021/acsapm.4c00161},
issn = {26376105},
year = {2024},
date = {2024-01-01},
journal = {ACS Applied Polymer Materials},
volume = {6},
number = {9},
pages = {5109 – 5120},
publisher = {American Chemical Society},
abstract = {Poly(ethylene glycol) (PEG)-based bottlebrush polymer electrolytes exhibit improved room-temperature ionic conductivity and reduced crystallinity compared to those of semicrystalline poly(ethylene oxide) (PEO). However, these graft copolymers suffer from low mechanical stability. Therefore, we synthesized a PEG-based bottlebrush polymer having a polynorbornene backbone using ring-opening metathesis polymerization, and it was mechanically reinforced using three strategies: (a) by blending with a polynorbornene (PNb) homopolymer, (b) filling with TiO2 nanoparticles, or (c) via block copolymerization with a PNb segment. All three systems were converted to solid polymer electrolytes by adding LiTFSI, and their thermal, mechanical, and detailed electrochemical properties in symmetrical Li/SPE/Li cells over a large number of cycles are given. All solid-state lithium metal battery (Li/SPE/LFP) cells were fabricated, and charge/discharge cycles as well as the cycling behavior were comparatively studied. It was found that block copolymerization resulted in the highest storage modulus above 0.1 Hz and overall ionic conductivity (in the whole range of 25 to 80 °C) compared to those of the other two strategies. Furthermore, the highest accessible discharge capacities (159 mA h g-1) and highest capacity retention of 88% after 50 cycles were also achieved with the block copolymer concept. © 2024 The Authors. Published by American Chemical Society.},
note = {Cited by: 1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Miralles, Bernabé; Paredes, María Y; Bragas, Andrea V; Grinblat, Gustavo; Cortés, Emiliano; Scarpettini, Alberto F

Arsenic Oxidation Kinetics with Plasmonic Nanocatalysts Journal Article

Journal of Physical Chemistry C, 128 (24), pp. 10017 – 10024, 2024, ISSN: 19327447, (Cited by: 0).

Abstract | Links | BibTeX | Tags:

Wagner, Laura I; Sirotti, Elise; Brune, Oliver; Grötzner, Gabriel; Eichhorn, Johanna; Santra, Saswati; Munnik, Frans; Olivi, Luca; Pollastri, Simone; Streibel, Verena; Sharp, Ian D

Defect Engineering of Ta3N5 Photoanodes: Enhancing Charge Transport and Photoconversion Efficiencies via Ti Doping Journal Article

Advanced Functional Materials, 34 (4), 2024, ISSN: 1616301X, (Cited by: 5; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Wagner2024b,
title = {Defect Engineering of Ta3N5 Photoanodes: Enhancing Charge Transport and Photoconversion Efficiencies via Ti Doping},
author = {Laura I Wagner and Elise Sirotti and Oliver Brune and Gabriel Grötzner and Johanna Eichhorn and Saswati Santra and Frans Munnik and Luca Olivi and Simone Pollastri and Verena Streibel and Ian D Sharp},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85174298732&doi=10.1002%2fadfm.202306539&partnerID=40&md5=07d09e9fb76610871d002b052502e616},
doi = {10.1002/adfm.202306539},
issn = {1616301X},
year = {2024},
date = {2024-01-01},
journal = {Advanced Functional Materials},
volume = {34},
number = {4},
publisher = {John Wiley and Sons Inc},
abstract = {While Ta3N5 shows excellent potential as a semiconductor photoanode for solar water splitting, its performance is hindered by poor charge carrier transport and trapping due to native defects that introduce electronic states deep within its bandgap. Here, it is demonstrated that controlled Ti doping of Ta3N5 can dramatically reduce the concentration of deep-level defects and enhance its photoelectrochemical performance, yielding a sevenfold increase in photocurrent density and a 300 mV cathodic shift in photocurrent onset potential compared to undoped material. Comprehensive characterization reveals that Ti4+ ions substitute Ta5+ lattice sites, thereby introducing compensating acceptor states, reducing the concentrations of deleterious nitrogen vacancies and reducing Ta3+ states, and thereby suppressing trapping and recombination. Owing to the similar ionic radii of Ti4+ and Ta5+, substitutional doping does not introduce lattice strain or significantly affect the underlying electronic structure of the host semiconductor. Furthermore, Ti can be incorporated without increasing the oxygen donor content, thereby enabling the electrical conductivity to be tuned by over seven orders of magnitude. Thus, Ti doping of Ta3N5 provides a powerful basis for precisely engineering its optoelectronic characteristics and to substantially improve its functional characteristics as an advanced photoelectrode for solar fuels applications. © 2023 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH.},
note = {Cited by: 5; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Hu, Haiyang; Lu, Wenzheng; Antonov, Alexander; Berté, Rodrigo; Maier, Stefan A; Tittl, Andreas

Environmental permittivity-asymmetric BIC metasurfaces with electrical reconfigurability Journal Article

Nature Communications, 15 (1), 2024, ISSN: 20411723, (Cited by: 0; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Hu2024c,
title = {Environmental permittivity-asymmetric BIC metasurfaces with electrical reconfigurability},
author = {Haiyang Hu and Wenzheng Lu and Alexander Antonov and Rodrigo Berté and Stefan A Maier and Andreas Tittl},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85201385846&doi=10.1038%2fs41467-024-51340-7&partnerID=40&md5=acb426c453b453ab7e68a1498440c5a4},
doi = {10.1038/s41467-024-51340-7},
issn = {20411723},
year = {2024},
date = {2024-01-01},
journal = {Nature Communications},
volume = {15},
number = {1},
publisher = {Nature Research},
abstract = {Achieving precise spectral and temporal light manipulation at the nanoscale remains a critical challenge in nanophotonics. While photonic bound states in the continuum (BICs) have emerged as a powerful means of controlling light, their reliance on geometrical symmetry breaking for obtaining tailored resonances makes them highly susceptible to fabrication imperfections, and their generally fixed asymmetry factor fundamentally limits applications in reconfigurable metasurfaces. Here, we introduce the concept of environmental symmetry breaking by embedding identical resonators into a surrounding medium with carefully placed regions of contrasting refractive indexes, activating permittivity-driven quasi-BIC resonances (ε-qBICs) without altering the underlying resonator geometry and unlocking an additional degree of freedom for light manipulation through active tuning of the surrounding dielectric environment. We demonstrate this concept by integrating polyaniline (PANI), an electro-optically active polymer, to achieve electrically reconfigurable ε-qBICs. This integration not only demonstrates rapid switching speeds and exceptional durability but also boosts the system’s optical response to environmental perturbations. Our strategy significantly expands the capabilities of resonant light manipulation through permittivity modulation, opening avenues for on-chip optical devices, advanced sensing, and beyond. © The Author(s) 2024.},
note = {Cited by: 0; All Open Access, Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Walther, Luis; Radacki, Krzysztof; Dewhurst, Rian D; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger

All-Inorganic sp-Chain Ligands: Isoelectronic B/N Analogues of E. O. Fischer's Alkynylcarbynes Journal Article

Angewandte Chemie - International Edition, 63 (30), 2024, ISSN: 14337851, (Cited by: 0).

Abstract | Links | BibTeX | Tags: azide; boron; halide; ligand; nanowire; tungsten; Alkynylcarbene; Borylation; Cationic complexes; Diazenido complex; Halide abstraction; Inorganics; Isoelectronics; Molecular wires; Sp chains; [3+2]-cycloaddition; article; borylation; case report; cycloaddition; Diels Alder reaction; Ligands

Kahl, Robert T; Erhardt, Andreas; Krauss, Gert; Seibold, Ferdinand; Dolynchuk, Oleksandr; Thelakkat, Mukundan; Thurn-Albrecht, Thomas

Effect of Chemical Modification on Molecular Ordering in Polydiketopyrrolopyrrole Copolymers: From Liquid Crystalline to Crystalline Journal Article

Macromolecules, 57 (11), pp. 5243 – 5252, 2024, ISSN: 00249297, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

Li, Chaohui; Zhang, Kaicheng; Maiti, Santanu; Peng, Zijian; Tian, Jingjing; Park, Hyoungwon; Byun, Jiwon; Xie, Zhiqiang; Dong, Lirong; Qiu, Shudi; Bornschlegl, Andreas J; Liu, Chao; Zhang, Jiyun; Osvet, Andres; Heumueller, Thomas; Christiansen, Silke H; Halik, Marcus; Unruh, Tobias; Li, Ning; Lüer, Larry; Brabec, Christoph J

Tailoring the Dimensionality of 2D/3D Heterojunctions for Inverted Perovskite Solar Cells Journal Article

ACS Energy Letters, 9 (3), pp. 779 – 788, 2024, ISSN: 23808195, (Cited by: 1).

Abstract | Links | BibTeX | Tags:

@article{Li2024779,
title = {Tailoring the Dimensionality of 2D/3D Heterojunctions for Inverted Perovskite Solar Cells},
author = {Chaohui Li and Kaicheng Zhang and Santanu Maiti and Zijian Peng and Jingjing Tian and Hyoungwon Park and Jiwon Byun and Zhiqiang Xie and Lirong Dong and Shudi Qiu and Andreas J Bornschlegl and Chao Liu and Jiyun Zhang and Andres Osvet and Thomas Heumueller and Silke H Christiansen and Marcus Halik and Tobias Unruh and Ning Li and Larry Lüer and Christoph J Brabec},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85184934047&doi=10.1021%2facsenergylett.4c00045&partnerID=40&md5=c38ab972feb0d23e4f5b0a8b69cda29d},
doi = {10.1021/acsenergylett.4c00045},
issn = {23808195},
year = {2024},
date = {2024-01-01},
journal = {ACS Energy Letters},
volume = {9},
number = {3},
pages = {779 – 788},
publisher = {American Chemical Society},
abstract = {Interface engineering is crucial to achieving stable perovskite photovoltaic devices. A versatile approach is developed to tailor interface properties via integrating co-assembled monolayers (co-SAMs) at the p-type buried interface and by capping a two-dimensional (2D) perovskite layer at the n-type upper interface with vacuum quenching. Optimized co-SAMs promote the coverage of the hole transport layer, significantly reducing the incidence of leakage currents. Based on this foundation, we develop damp-heat-stable perovskite solar cells by precisely tailoring the fragments of 2D perovskite layers through vacuum annealing with phenethylammonium iodide. An impressive open-circuit voltage of 1.216 V is achieved, corresponding to 92% of the value determined by the detailed-balance limit, along with a power conversion efficiency of 23.68%. Ultimately, integrating co-SAMs and the vacuum-assisted annealing fabricated devices maintain 96% and 80% of initial efficiencies after 1200 and 500 h of tracking at a maximum power point under 55 and 85 °C, respectively. © 2024 American Chemical Society},
note = {Cited by: 1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Alam, Shahidul; Aldosari, Haya; Petoukhoff, Christopher E; Váry, Tomáš; Althobaiti, Wejdan; Alqurashi, Maryam; Tang, Hua; Khan, Jafar I; Nádaždy, Vojtech; Müller-Buschbaum, Peter; Welch, Gregory C; Laquai, Frédéric

Thermally-Induced Degradation in PM6:Y6-Based Bulk Heterojunction Organic Solar Cells Journal Article

Advanced Functional Materials, 34 (6), 2024, ISSN: 1616301X, (Cited by: 5).

Abstract | Links | BibTeX | Tags:

@article{Alam2024b,
title = {Thermally-Induced Degradation in PM6:Y6-Based Bulk Heterojunction Organic Solar Cells},
author = {Shahidul Alam and Haya Aldosari and Christopher E Petoukhoff and Tomáš Váry and Wejdan Althobaiti and Maryam Alqurashi and Hua Tang and Jafar I Khan and Vojtech Nádaždy and Peter Müller-Buschbaum and Gregory C Welch and Frédéric Laquai},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85174907866&doi=10.1002%2fadfm.202308076&partnerID=40&md5=48034adbebe4c83aacea2669a2ffd91b},
doi = {10.1002/adfm.202308076},
issn = {1616301X},
year = {2024},
date = {2024-01-01},
journal = {Advanced Functional Materials},
volume = {34},
number = {6},
publisher = {John Wiley and Sons Inc},
abstract = {Thermally induced degradation of organic photovoltaic devices hinders the commercialization of this emerging PV technology. Thus, a precise understanding of the origin of thermal device instability, as well as identifying strategies to circumvent degradation is of utmost importance. Here, it investigates thermally-induced degradation of state-of-the-art PBDB-T-2F (PM6):BTP (Y6) bulk heterojunction solar cells at different temperatures and reveal changes of their optical properties, photophysics, and morphology. The open-circuit voltage and fill factor of thermally degraded devices are limited by dissociation and charge collection efficiency differences, while the short-circuit current density is only slightly affected. Energy-resolved electrochemical impedance spectroscopy measurements reveal that thermally degraded samples exhibit a higher energy barrier for the charge-transfer state to charge-separated state conversion. Furthermore, the field dependence of charge generation, recombination, and extraction are studied by time-delayed collection field and transient photocurrent and photovoltage experiments, indicating significant bimolecular recombination limits device performance. Finally, coupled optical-electrical device simulations are conducted to fit the devices’ current-voltage characteristics, enabling us to find useful correlations between optical and electrical properties of the active layers and device performance parameters. © 2023 Wiley-VCH GmbH.},
note = {Cited by: 5},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Christis, Maximilian; Henning, Alex; Bartl, Johannes D; Zeidler, Andreas; Rieger, Bernhard; Stutzmann, Martin; Sharp, Ian D

Annealing-Free Ohmic Contacts to n-Type GaN via Hydrogen Plasma-Assisted Atomic Layer Deposition of Sub-Nanometer AlOx Journal Article

Advanced Materials Interfaces, 11 (4), 2024, ISSN: 21967350, (Cited by: 0; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Christis2024,
title = {Annealing-Free Ohmic Contacts to n-Type GaN via Hydrogen Plasma-Assisted Atomic Layer Deposition of Sub-Nanometer AlOx},
author = {Maximilian Christis and Alex Henning and Johannes D Bartl and Andreas Zeidler and Bernhard Rieger and Martin Stutzmann and Ian D Sharp},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85178238869&doi=10.1002%2fadmi.202300758&partnerID=40&md5=71aea20b37752d132e7c3d0aa31e097f},
doi = {10.1002/admi.202300758},
issn = {21967350},
year = {2024},
date = {2024-01-01},
journal = {Advanced Materials Interfaces},
volume = {11},
number = {4},
publisher = {John Wiley and Sons Inc},
abstract = {A plasma-assisted atomic layer deposition (PE-ALD) process is reported for creating ohmic contacts to n-type GaN that combines native oxide reduction, near-surface doping, and encapsulation of GaN in a single processing step, thereby eliminating the need for both wet chemical etching of the native oxide before metallization and thermal annealing after contact formation. Repeated ALD cycling of trimethyl aluminum (TMA) and high-intensity hydrogen (H2) plasma results in the deposition of a sub-nanometer-thin (≈8 Å) AlOx layer via the partial transformation of the GaN surface oxide into AlOx. Hydrogen plasma-induced nitrogen vacancies in the near-surface region of GaN serve as shallow donors, promoting efficient out-of-plane electrical transport. Subsequent metallization with a Ti/Al/Ti/Au stack results in low contact resistance, ohmic behavior, and smooth morphology without requiring annealing. This electrical contracting approach thus meets the thermal budget requirements for Si-based complementary metal–oxide–semiconductor structures and can facilitate the design and fabrication of advanced GaN-on-Si heterodevices. © 2023 The Authors. Advanced Materials Interfaces published by Wiley-VCH GmbH.},
note = {Cited by: 0; All Open Access, Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Streibel, Verena; Schönecker, Johanna L; Wagner, Laura I; Sirotti, Elise; Munnik, Frans; Kuhl, Matthias; Jiang, Chang-Ming; Eichhorn, Johanna; Santra, Saswati; Sharp, Ian D

Zirconium Oxynitride Thin Films for Photoelectrochemical Water Splitting Journal Article

ACS Applied Energy Materials, 7 (9), pp. 4004 – 4015, 2024, ISSN: 25740962, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Streibel20244004,
title = {Zirconium Oxynitride Thin Films for Photoelectrochemical Water Splitting},
author = {Verena Streibel and Johanna L Schönecker and Laura I Wagner and Elise Sirotti and Frans Munnik and Matthias Kuhl and Chang-Ming Jiang and Johanna Eichhorn and Saswati Santra and Ian D Sharp},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85192135302&doi=10.1021%2facsaem.4c00303&partnerID=40&md5=d80c2a5898a81af879366dbf20e5afda},
doi = {10.1021/acsaem.4c00303},
issn = {25740962},
year = {2024},
date = {2024-01-01},
journal = {ACS Applied Energy Materials},
volume = {7},
number = {9},
pages = {4004 – 4015},
publisher = {American Chemical Society},
abstract = {Transition metal oxynitrides are a promising class of functional materials for photoelectrochemical (PEC) applications. Although these compounds are most commonly synthesized via ammonolysis of oxide precursors, such synthetic routes often lead to poorly controlled oxygen-to-nitrogen anion ratios, and the harsh nitridation conditions are incompatible with many substrates, including transparent conductive oxides. Here, we report direct reactive sputter deposition of a family of zirconium oxynitride thin films and the comprehensive characterization of their tunable structural, optical, and functional PEC properties. Systematic increases of the oxygen content in the reactive sputter gas mixture enable access to different crystalline structures within the zirconium oxynitride family. Increasing oxygen contents lead to a transition from metallic to semiconducting to insulating phases. In particular, crystalline Zr2ON2-like films have band gaps in the UV-visible range and are n-type semiconductors. These properties, together with a valence band maximum position located favorably relative to the water oxidation potential, make them viable photoanode candidates. Using chopped linear sweep voltammetry, we indeed confirm that our Zr2ON2 films are PEC-active for the oxygen evolution reaction in alkaline electrolytes. We further show that high-vacuum annealing boosts their PEC performance characteristics. Although the observed photocurrents are low compared to state-of-the-art photoanodes, these dense and planar thin films can offer a valuable platform for studying oxynitride photoelectrodes, as well as for future nanostructuring, band gap engineering, and defect engineering efforts. © 2024 The Authors. Published by American Chemical Society.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Boggiano, Hilario D; Nan, Lin; Grinblat, Gustavo; Maier, Stefan A; Cortés, Emiliano; Bragas, Andrea V

Focusing Surface Acoustic Waves with a Plasmonic Hypersonic Lens Journal Article

Nano Letters, 24 (21), pp. 6362 – 6368, 2024, ISSN: 15306984, (Cited by: 1; All Open Access, Green Open Access).

Abstract | Links | BibTeX | Tags:

Guo, Renjun; Xiong, Qiu; Ulatowski, Aleksander; Li, Saisai; Ding, Zijin; Xiao, Tianxiao; Liang, Suzhe; Heger, Julian E; Guan, Tianfu; Jiang, Xinyu; Sun, Kun; Reb, Lennart K; Reus, Manuel A; Chumakov, Andrei; Schwartzkopf, Matthias; Yuan, Minjian; Hou, Yi; Roth, Stephan V; Herz, Laura M; Gao, Peng; Müller-Buschbaum, Peter

Trace Water in Lead Iodide Affecting Perovskite Crystal Nucleation Limits the Performance of Perovskite Solar Cells Journal Article

Advanced Materials, 36 (7), 2024, ISSN: 09359648, (Cited by: 15; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Guo2024,
title = {Trace Water in Lead Iodide Affecting Perovskite Crystal Nucleation Limits the Performance of Perovskite Solar Cells},
author = {Renjun Guo and Qiu Xiong and Aleksander Ulatowski and Saisai Li and Zijin Ding and Tianxiao Xiao and Suzhe Liang and Julian E Heger and Tianfu Guan and Xinyu Jiang and Kun Sun and Lennart K Reb and Manuel A Reus and Andrei Chumakov and Matthias Schwartzkopf and Minjian Yuan and Yi Hou and Stephan V Roth and Laura M Herz and Peng Gao and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85178892866&doi=10.1002%2fadma.202310237&partnerID=40&md5=e15f49722f921e4ced782115980d3dab},
doi = {10.1002/adma.202310237},
issn = {09359648},
year = {2024},
date = {2024-01-01},
journal = {Advanced Materials},
volume = {36},
number = {7},
publisher = {John Wiley and Sons Inc},
abstract = {The experimental replicability of highly efficient perovskite solar cells (PSCs) is a persistent challenge faced by laboratories worldwide. Although trace impurities in raw materials can impact the experimental reproducibility of high-performance PSCs, the in situ study of how trace impurities affect perovskite film growth is never investigated. Here, light is shed on the impact of inevitable water contamination in lead iodide (PbI2) on the replicability of device performance, mainly depending on the synthesis methods of PbI2. Through synchrotron-based structure characterization, it is uncovered that even slight additions of water to PbI2 accelerate the crystallization process in the perovskite layer during annealing. However, this accelerated crystallization also results in an imbalance of charge-carrier mobilities, leading to a degradation in device performance and reduced longevity of the solar cells. It is also found that anhydrous PbI2 promotes a homogenous nucleation process and improves perovskite film growth. Finally, the PSCs achieve a remarkable certified power conversion efficiency of 24.3%. This breakthrough demonstrates the significance of understanding and precisely managing the water content in PbI2 to ensure the experimental replicability of high-efficiency PSCs. © 2023 The Authors. Advanced Materials published by Wiley-VCH GmbH.},
note = {Cited by: 15; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Schneider, Tilman; Seebauer, Florian; Beuerle, Florian; Würthner, Frank

A Monodisperse, End-Capped Ru(bda) Oligomer with Outstanding Performance in Heterogeneous Electrochemical Water Oxidation Journal Article

Advanced Materials Technologies, 9 (11), 2024, ISSN: 2365709X, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

Bartolomei, Beatrice; Sbacchi, Maria; Rosso, Cristian; Günay-Gürer, Ayse; Zdražil, Lukáš; Cadranel, Alejandro; Kralj, Slavko; Guldi, Dirk M; Prato, Maurizio

Synthetic Strategies for the Selective Functionalization of Carbon Nanodots Allow Optically Communicating Suprastructures Journal Article

Angewandte Chemie - International Edition, 63 (5), 2024, ISSN: 14337851, (Cited by: 3; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

Qu, Wenqiang; Xu, Zixiang; Gruber, Christoph G; Li, Hongmei; Hu, Xiaonan; Zhou, Limin; Duan, Haiyan; Zhang, Jin; Liu, Min; Cortés, Emiliano; Zhang, Dengsong

Accelerating Toluene Oxidation over Boron-Titanium-Oxygen Interface: Steric Hindrance of the Methyl Group Induced by the Plane-Adsorption Configuration Journal Article

Environmental Science and Technology, 58 (36), pp. 16215 – 16224, 2024, ISSN: 0013936X, (Cited by: 0).

Abstract | Links | BibTeX | Tags:

@article{Qu202416215,
title = {Accelerating Toluene Oxidation over Boron-Titanium-Oxygen Interface: Steric Hindrance of the Methyl Group Induced by the Plane-Adsorption Configuration},
author = {Wenqiang Qu and Zixiang Xu and Christoph G Gruber and Hongmei Li and Xiaonan Hu and Limin Zhou and Haiyan Duan and Jin Zhang and Min Liu and Emiliano Cortés and Dengsong Zhang},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202652526&doi=10.1021%2facs.est.4c06079&partnerID=40&md5=cec430551f771a82af143f79e06bf386},
doi = {10.1021/acs.est.4c06079},
issn = {0013936X},
year = {2024},
date = {2024-01-01},
journal = {Environmental Science and Technology},
volume = {58},
number = {36},
pages = {16215 – 16224},
publisher = {American Chemical Society},
abstract = {Elimination of dilute gaseous toluene is one of the critical concerns within the field of indoor air remediation. The typical degradation route on titanium-based catalysts, “toluene-benzaldehyde-carbon dioxide”, necessitates the oxidation of the methyl group as a prerequisite for photocatalytic toluene oxidation. However, the inherent planar adsorption configuration of toluene molecules, dominated by the benzene rings, leads to significant steric hindrance for the methyl group. This steric hindrance prevents the methyl group from contacting the active species on the catalyst surface, thereby limiting the removal of toluene under indoor conditions. To date, no effective strategy to control the steric hindrance of the methyl group has been identified. Herein, we showed a B-Ti-O interface that exhibits significantly enhanced toluene removal efficiency under indoor conditions. In-depth investigations revealed that, compared to typical Ti-based photocatalysts, the steric hindrance between the methyl group and the catalyst surface decreased from 3.42 to 3.03 Å on the designed interface. This reduction originates from the matching of orbital energy levels between Ti 3dz2 and C 2pz of the benzene ring. The decreased steric hindrance improved the efficiency of toluene being attacked by surface active species, allowing for rapid conversion into benzaldehyde and benzoic acid species for subsequent reactions. Our work provides novel insights into the steric hindrance effect in the elimination of aromatic volatile organic compounds. © 2024 American Chemical Society.},
note = {Cited by: 0},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Sortino, Luca; Gale, Angus; Kühner, Lucca; Li, Chi; Biechteler, Jonas; Wendisch, Fedja J; Kianinia, Mehran; Ren, Haoran; Toth, Milos; Maier, Stefan A; Aharonovich, Igor; Tittl, Andreas

Optically addressable spin defects coupled to bound states in the continuum metasurfaces Journal Article

Nature Communications, 15 (1), 2024, ISSN: 20411723, (Cited by: 3; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Sortino2024,
title = {Optically addressable spin defects coupled to bound states in the continuum metasurfaces},
author = {Luca Sortino and Angus Gale and Lucca Kühner and Chi Li and Jonas Biechteler and Fedja J Wendisch and Mehran Kianinia and Haoran Ren and Milos Toth and Stefan A Maier and Igor Aharonovich and Andreas Tittl},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85186906047&doi=10.1038%2fs41467-024-46272-1&partnerID=40&md5=c9383a9c9df645054bd4c72a4bdc7041},
doi = {10.1038/s41467-024-46272-1},
issn = {20411723},
year = {2024},
date = {2024-01-01},
journal = {Nature Communications},
volume = {15},
number = {1},
publisher = {Nature Research},
abstract = {Van der Waals (vdW) materials, including hexagonal boron nitride (hBN), are layered crystalline solids with appealing properties for investigating light-matter interactions at the nanoscale. hBN has emerged as a versatile building block for nanophotonic structures, and the recent identification of native optically addressable spin defects has opened up exciting possibilities in quantum technologies. However, these defects exhibit relatively low quantum efficiencies and a broad emission spectrum, limiting potential applications. Optical metasurfaces present a novel approach to boost light emission efficiency, offering remarkable control over light-matter coupling at the sub-wavelength regime. Here, we propose and realise a monolithic scalable integration between intrinsic spin defects in hBN metasurfaces and high quality (Q) factor resonances, exceeding 102, leveraging quasi-bound states in the continuum (qBICs). Coupling between defect ensembles and qBIC resonances delivers a 25-fold increase in photoluminescence intensity, accompanied by spectral narrowing to below 4 nm linewidth and increased narrowband spin-readout efficiency. Our findings demonstrate a new class of metasurfaces for spin-defect-based technologies and pave the way towards vdW-based nanophotonic devices with enhanced efficiency and sensitivity for quantum applications in imaging, sensing, and light emission. © The Author(s) 2024.},
note = {Cited by: 3; All Open Access, Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Bienek, Oliver; Rieth, Tim; Kühne, Julius; Fuchs, Benedikt; Kuhl, Matthias; Wagner, Laura I; Todenhagen, Lina M; Wolz, Lukas; Henning, Alex; Sharp, Ian D

Suppressing substrate oxidation during plasma-enhanced atomic layer deposition on semiconductor surfaces Journal Article

Applied Physics Letters, 124 (7), 2024, ISSN: 00036951, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Bienek2024,
title = {Suppressing substrate oxidation during plasma-enhanced atomic layer deposition on semiconductor surfaces},
author = {Oliver Bienek and Tim Rieth and Julius Kühne and Benedikt Fuchs and Matthias Kuhl and Laura I Wagner and Lina M Todenhagen and Lukas Wolz and Alex Henning and Ian D Sharp},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85184995453&doi=10.1063%2f5.0182200&partnerID=40&md5=935ed758a1718e8963b335cb7d8ccae6},
doi = {10.1063/5.0182200},
issn = {00036951},
year = {2024},
date = {2024-01-01},
journal = {Applied Physics Letters},
volume = {124},
number = {7},
publisher = {American Institute of Physics Inc.},
abstract = {Plasma-enhanced atomic layer deposition (PE-ALD) is widely employed in microelectronics, energy, and sensing applications. Typically, PE-ALD processes for metal oxides utilize remote inductively coupled plasmas operated at powers of >200 W, ensuring a sufficient flux of oxygen radicals to the growth surface. However, this approach often leads to significant oxidation of chemically sensitive substrates, including most technological semiconductors. Here, we demonstrate that plasma powers as low as 5 W can effectively suppress substrate oxidation while maintaining the structural, optical, and electronic quality of the films. Specifically, we investigate the growth of titanium oxide (TiOx) using two commonly used metalorganic precursors, titanium isopropoxide and tetrakis(dimethylamino)titanium. Films deposited with 5 and 300 W oxygen plasma power are nearly indiscernible from one another, exhibiting significantly lower defect concentrations than those obtained from thermal ALD with H2O. The low plasma power process preserves desired physical characteristics of PE-ALD films, including large optical constants (n > 2.45 at 589 nm), negligible defect-induced sub-bandgap optical absorption (α < 102 cm−1), and high electrical resistivity (>105 Ω cm). Similar behavior, including suppressed interface oxidation and low defect content, is observed on both Si and InP substrates. As an example application of this approach, the assessment of InP/TiOx photocathodes and Si/TiOx photoanodes reveals a significant improvement in the photocurrent onset potential in both cases, enabled by suppressed substrate oxidation during low power PE-ALD. Overall, low power PE-ALD represents a generally applicable strategy for producing high quality metal oxide thin films while minimizing detrimental substrate reactions. © 2024 Author(s).},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Kang, Yicui; João, Simão M; Lin, Rui; Liu, Kang; Zhu, Li; Fu, Junwei; Cheong, Weng-Chon; Lee, Seunghoon; Frank, Kilian; Nickel, Bert; Liu, Min; Lischner, Johannes; Cortés, Emiliano

Effect of crystal facets in plasmonic catalysis Journal Article

Nature Communications, 15 (1), 2024, ISSN: 20411723, (Cited by: 0; All Open Access, Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Kang2024,
title = {Effect of crystal facets in plasmonic catalysis},
author = {Yicui Kang and Simão M João and Rui Lin and Kang Liu and Li Zhu and Junwei Fu and Weng-Chon Cheong and Seunghoon Lee and Kilian Frank and Bert Nickel and Min Liu and Johannes Lischner and Emiliano Cortés},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85192576803&doi=10.1038%2fs41467-024-47994-y&partnerID=40&md5=275dab6aa6f84f710ec1d1afe78e1679},
doi = {10.1038/s41467-024-47994-y},
issn = {20411723},
year = {2024},
date = {2024-01-01},
journal = {Nature Communications},
volume = {15},
number = {1},
publisher = {Nature Research},
abstract = {While the role of crystal facets is well known in traditional heterogeneous catalysis, this effect has not yet been thoroughly studied in plasmon-assisted catalysis, where attention has primarily focused on plasmon-derived mechanisms. Here, we investigate plasmon-assisted electrocatalytic CO2 reduction using different shapes of plasmonic Au nanoparticles - nanocube (NC), rhombic dodecahedron (RD), and octahedron (OC) - exposing 100, 110, and 111 facets, respectively. Upon plasmon excitation, Au OCs doubled CO Faradaic efficiency (FECO) and tripled CO partial current density (jCO) compared to a dark condition, with NCs also improving under illumination. In contrast, Au RDs maintained consistent performance irrespective of light exposure, suggesting minimal influence of light on the reaction. Temperature experiments ruled out heat as the main factor to explain such differences. Atomistic simulations and electromagnetic modeling revealed higher hot carrier abundance and electric field enhancement on Au OCs and NCs than RDs. These effects now dominate the reaction landscape over the crystal facets, thus shifting the reaction sites when comparing dark and plasmon-activated processes. Plasmon-assisted H2 evolution reaction experiments also support these findings. The dominance of low-coordinated sites over facets in plasmonic catalysis suggests key insights for designing efficient photocatalysts for energy conversion and carbon neutralization. © The Author(s) 2024.},
note = {Cited by: 0; All Open Access, Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Guan, Tianfu; Liang, Suzhe; Kang, Yicui; Pensa, Evangelina; Li, Dong; Liang, Wenkai; Liang, Zhiqiang; Bulut, Yusuf; Reck, Kristian A; Xiao, Tianxiao; Guo, Renjun; Drewes, Jonas; Strunskus, Thomas; Schwartzkopf, Matthias; Faupel, Franz; Roth, Stephan V; Cortés, Emiliano; Jiang, Lin; Müller-Buschbaum, Peter

High-Power Impulse Magnetron Sputter Deposition of Ag on Self-Assembled Au Nanoparticle Arrays at Low-Temperature Dewetting Conditions Journal Article

ACS Applied Materials and Interfaces, 16 (30), pp. 40286 – 40296, 2024, ISSN: 19448244, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Guan202440286,
title = {High-Power Impulse Magnetron Sputter Deposition of Ag on Self-Assembled Au Nanoparticle Arrays at Low-Temperature Dewetting Conditions},
author = {Tianfu Guan and Suzhe Liang and Yicui Kang and Evangelina Pensa and Dong Li and Wenkai Liang and Zhiqiang Liang and Yusuf Bulut and Kristian A Reck and Tianxiao Xiao and Renjun Guo and Jonas Drewes and Thomas Strunskus and Matthias Schwartzkopf and Franz Faupel and Stephan V Roth and Emiliano Cortés and Lin Jiang and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85199009897&doi=10.1021%2facsami.4c10726&partnerID=40&md5=a7ca86aa0f5e6d9bc9de02d23f1dee67},
doi = {10.1021/acsami.4c10726},
issn = {19448244},
year = {2024},
date = {2024-01-01},
journal = {ACS Applied Materials and Interfaces},
volume = {16},
number = {30},
pages = {40286 – 40296},
publisher = {American Chemical Society},
abstract = {Plasmons have facilitated diverse analytical applications due to the boosting signal detectability by hot spots. In practical applications, it is crucial to fabricate straightforward, large-scale, and reproducible plasmonic substrates. Dewetting treatment, via applying direct thermal annealing of metal films, has been used as a straightforward method in the fabrication of such plasmonic nanostructures. However, tailoring the evolution of the dewetting process of metal films poses considerable experimental complexities, mainly due to nanoscale structure formation. Here, we use grazing-incidence small- and wide-angle X-ray scattering for the in situ investigation of the high-power impulse magnetron sputter deposition of Ag on self-assembled Au nanoparticle arrays at low-temperature dewetting conditions. This approach allows us to examine both the direct formation of binary Au/Ag nanostructure and the consequential impact of the dewetting process on the spatial arrangement of the bimetallic nanoparticles. It is observed that the dewetting at 100 °C is sufficient to favor the establishment of a homogenized structural configuration of bimetallic nanostructures, which is beneficial for localized surface plasmon resonances (LSPRs). The fabricated metal nanostructures show potential application for the surface-enhanced Raman scattering (SERS) detection of rhodamine 6G molecules. As SERS platform, bimetallic nanostructures formed with dewetting conditions turn out to be superior to those without dewetting conditions. The method in this work is envisioned as a facile strategy for the fabrication of plasmonic nanostructures. © 2024 The Authors. Published by American Chemical Society.},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Wang, Qiyou; Gong, Yujie; Zi, Xin; Gan, Lei; Pensa, Evangelina; Liu, Yuxiang; Xiao, Yusen; Li, Hongmei; Liu, Kang; Fu, Junwei; Liu, Jun; Stefancu, Andrei; Cai, Chao; Chen, Shanyong; Zhang, Shiguo; Lu, Ying-Rui; Chan, Ting-Shan; Ma, Chao; Cao, Xueying; Cortés, Emiliano; Liu, Min

Coupling Nano and Atomic Electric Field Confinement for Robust Alkaline Oxygen Evolution Journal Article

Angewandte Chemie - International Edition, 63 (28), 2024, ISSN: 14337851, (Cited by: 8; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Wang2024b,
title = {Coupling Nano and Atomic Electric Field Confinement for Robust Alkaline Oxygen Evolution},
author = {Qiyou Wang and Yujie Gong and Xin Zi and Lei Gan and Evangelina Pensa and Yuxiang Liu and Yusen Xiao and Hongmei Li and Kang Liu and Junwei Fu and Jun Liu and Andrei Stefancu and Chao Cai and Shanyong Chen and Shiguo Zhang and Ying-Rui Lu and Ting-Shan Chan and Chao Ma and Xueying Cao and Emiliano Cortés and Min Liu},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85195690153&doi=10.1002%2fanie.202405438&partnerID=40&md5=4185ba4411edd789080ce5e3183b09b5},
doi = {10.1002/anie.202405438},
issn = {14337851},
year = {2024},
date = {2024-01-01},
journal = {Angewandte Chemie - International Edition},
volume = {63},
number = {28},
publisher = {John Wiley and Sons Inc},
abstract = {The alkaline oxygen evolution reaction (OER) is a promising avenue for producing clean fuels and storing intermittent energy. However, challenges such as excessive OH− consumption and strong adsorption of oxygen-containing intermediates hinder the development of alkaline OER. In this study, we propose a cooperative strategy by leveraging both nano-scale and atomically local electric fields for alkaline OER, demonstrated through the synthesis of Mn single atom doped CoP nanoneedles (Mn SA-CoP NNs). Finite element method simulations and density functional theory calculations predict that the nano-scale local electric field enriches OH− around the catalyst surface, while the atomically local electric field improves *O desorption. Experimental validation using in situ attenuated total reflection infrared and Raman spectroscopy confirms the effectiveness of the nano-scale and atomically electric fields. Mn SA-CoP NNs exhibit an ultra-low overpotential of 189 mV at 10 mA cm−2 and stable operation over 100 hours at ~100 mA cm−2 during alkaline OER. This innovative strategy provides new insights for enhancing catalyst performance in energy conversion reactions. © 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.},
note = {Cited by: 8; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

de Kam, Lucas B T; Maier, Thomas L; Krischer, Katharina

Electrolyte effects on the alkaline hydrogen evolution reaction: A mean-field approach Journal Article

Electrochimica Acta, 497 , 2024, ISSN: 00134686, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{deKam2024,
title = {Electrolyte effects on the alkaline hydrogen evolution reaction: A mean-field approach},
author = {Lucas B T de Kam and Thomas L Maier and Katharina Krischer},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85195863948&doi=10.1016%2fj.electacta.2024.144530&partnerID=40&md5=568a9ec1f88599475525bd6d1a5f6cee},
doi = {10.1016/j.electacta.2024.144530},
issn = {00134686},
year = {2024},
date = {2024-01-01},
journal = {Electrochimica Acta},
volume = {497},
publisher = {Elsevier Ltd},
abstract = {This paper introduces the combination of an advanced double-layer model with electrochemical kinetics to explain electrolyte effects on the alkaline hydrogen evolution reaction. It is known from experimental studies that the alkaline hydrogen evolution current shows a strong dependence on the concentration and identity of cations in the electrolyte, but is independent of pH. To explain these effects, we formulate the faradaic current in terms of the electric potential in the double layer, which is calculated using a mean-field model that takes into account the cation and anion sizes as well as the electric dipole moment of water molecules. We propose that the Volmer step consists of two activated processes: a water reduction sub-step, and a sub-step in which OH− is transferred away from the reaction plane through the double layer. Either of these sub-steps may limit the rate. The proposed models for these sub-steps qualitatively explain experimental observations, including cation effects, pH-independence, and the trend reversal between gold and platinum electrodes. We also assess the quantitative accuracy of the water-reduction-limited current model; we suggest that the predicted functional relationship is valid as long as the hydrogen bonding structure of water near the electrode is sufficiently maintained. © 2024 The Author(s)},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Mentzel, Paul; Holzapfel, Marco; Schmiedel, Alexander; Günther, Johanna; Michel, Maximilian; Krummenacher, Ivo; Wodyński, Artur; Kaupp, Martin; Braunschweig, Holger; Lambert, Christoph

Structure and Photophysics of N-Tolanyl-phenochalcogenazines and their Radical Cations Journal Article

Chemistry - A European Journal, 30 (19), 2024, ISSN: 09476539, (Cited by: 0; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Mentzel2024,
title = {Structure and Photophysics of N-Tolanyl-phenochalcogenazines and their Radical Cations},
author = {Paul Mentzel and Marco Holzapfel and Alexander Schmiedel and Johanna Günther and Maximilian Michel and Ivo Krummenacher and Artur Wodyński and Martin Kaupp and Holger Braunschweig and Christoph Lambert},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85185108520&doi=10.1002%2fchem.202303782&partnerID=40&md5=b86f6d73ed4a41c13fbe919d29156c99},
doi = {10.1002/chem.202303782},
issn = {09476539},
year = {2024},
date = {2024-01-01},
journal = {Chemistry - A European Journal},
volume = {30},
number = {19},
publisher = {John Wiley and Sons Inc},
abstract = {The study focuses on the structural and photophysical characteristics of neutral and oxidized forms of N-tolanyl-phenochalcogenazines PZX-tolan with X=O, S, Se, and Te. X-ray crystal structure analyses show a pseudo-equatorial (pe) structure of the tolan substituent in the O, S, and Se dyads, while the Te dyad possesses a pseudo-axial (pa) structure. DFT calculations suggest the pe structure for O and S, and the pa structure for Se and Te as stable forms. Steady-state and femtosecond-time resolved optical spectroscopy in toluene solution indicate that the O and S dyads emit from a CT state, whereas the Se and Te dyads emit from a tolan-localized state. The T1 state is tolan-localized in all cases, showing phosphorescence at 77 K. The heavy atom effect of chalcogens induces intersystem crossing from S1 to Tx, resulting in a decreasing S1 lifetime from 2.1 ns to 0.42 ps. The T1 states possess potential for singlet oxygen sensitization with a high quantum yield (ca. 40 %) for the O, S, and Se dyads. Radical cations exhibit spin density primarily localized at the heterocycle. EPR measurements and quasirelativistic DFT calculations reveal a very strong g-tensor anisotropy, supporting the pe structure for the S and Se derivatives. © 2024 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.},
note = {Cited by: 0; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Posnjak, Gregor; Yin, Xin; Butler, Paul; Bienek, Oliver; Dass, Mihir; Lee, Seungwoo; Sharp, Ian D; Liedl, Tim

Diamond-lattice photonic crystals assembled from DNA origami Journal Article

Science, 384 (6697), pp. 781 – 785, 2024, ISSN: 00368075, (Cited by: 6; All Open Access, Green Open Access).

Abstract | Links | BibTeX | Tags:

Hegner, Franziska S; Cohen, Adi; Rudel, Stefan S; Kronawitter, Silva M; Grumet, Manuel; Zhu, Xiangzhou; Korobko, Roman; Houben, Lothar; Jiang, Chang-Ming; Schnick, Wolfgang; Kieslich, Gregor; Yaffe, Omer; Sharp, Ian D; Egger, David A

The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN2 Journal Article

Advanced Energy Materials, 14 (19), 2024, ISSN: 16146832, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Hegner2024,
title = {The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN2},
author = {Franziska S Hegner and Adi Cohen and Stefan S Rudel and Silva M Kronawitter and Manuel Grumet and Xiangzhou Zhu and Roman Korobko and Lothar Houben and Chang-Ming Jiang and Wolfgang Schnick and Gregor Kieslich and Omer Yaffe and Ian D Sharp and David A Egger},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85188909385&doi=10.1002%2faenm.202303059&partnerID=40&md5=8d45614f8e878ca4ff40bda022a028f0},
doi = {10.1002/aenm.202303059},
issn = {16146832},
year = {2024},
date = {2024-01-01},
journal = {Advanced Energy Materials},
volume = {14},
number = {19},
publisher = {John Wiley and Sons Inc},
abstract = {Ternary nitride semiconductors are rapidly emerging as a promising class of materials for energy conversion applications, offering an appealing combination of strong light absorption in the visible range, desirable charge transport characteristics, and good chemical stability. In this work, it is shown that finite-temperature lattice dynamics in CuTaN2 – a prototypical ternary nitride displaying particularly strong visible light absorption – exhibit a pronounced anharmonic character that plays an essential role in defining its macroscopic optoelectronic and thermal properties. Low-frequency vibrational modes that are Raman-inactive from symmetry considerations of the average crystal structure and unstable in harmonic phonon calculations are found to appear as intensive Raman features near room temperature. The atomic contributions to the anharmonic vibrations are characterized by combining Raman measurements with molecular dynamics and density functional theory calculations. This analysis reveals that anharmonic lattice dynamics have large ramifications on the fundamental properties of this compound, resulting in uniaxial negative thermal expansion and the opening of its bandgap to a near-optimal value for solar energy harvesting. The atomic-level understanding of anharmonic lattice dynamics, as well as the finding that they strongly influence key properties of this semiconductor at room temperature, have important implications for design of new functional materials, especially within the emerging class of ternary nitride semiconductors. © 2024 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Tu, Suo; Tian, Ting; Xiao, Tianxiao; Yao, Xiangtong; Shen, Sicong; Wu, Yansong; Liu, Yinlong; Bing, Zhenshan; Huang, Kai; Knoll, Alois; Yin, Shanshan; Liang, Suzhe; Heger, Julian E; Pan, Guangjiu; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter

Humidity Stable Thermoelectric Hybrid Materials Toward a Self-Powered Triple Sensing System Journal Article

Advanced Functional Materials, 34 (25), 2024, ISSN: 1616301X, (Cited by: 4; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Tu2024,
title = {Humidity Stable Thermoelectric Hybrid Materials Toward a Self-Powered Triple Sensing System},
author = {Suo Tu and Ting Tian and Tianxiao Xiao and Xiangtong Yao and Sicong Shen and Yansong Wu and Yinlong Liu and Zhenshan Bing and Kai Huang and Alois Knoll and Shanshan Yin and Suzhe Liang and Julian E Heger and Guangjiu Pan and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85184738841&doi=10.1002%2fadfm.202316088&partnerID=40&md5=287dd8d98d9b38231d5a939bd31c8f2c},
doi = {10.1002/adfm.202316088},
issn = {1616301X},
year = {2024},
date = {2024-01-01},
journal = {Advanced Functional Materials},
volume = {34},
number = {25},
publisher = {John Wiley and Sons Inc},
abstract = {Highly sensitive and humidity-resistive detection of the most common physical stimuli is of primary importance for practical application in real-time monitoring. Here, a simple yet effective strategy is reported to achieve a highly humidity-stable hybrid composite that enables simultaneous and accurate pressure and temperature sensing in a single sensor. The improved electronic performance is due to the enhanced planarity of poly (3,-4ethylenedioxythiophene) (PEDOT) and charge transfer between PEDOT:polystyrene sulfonate (PEDOT:PSS) and multi-walled carbon nanotubes (CNTs) by strong π–π interaction. The preferred electronic pathway induced by a robust morphology in the hybrid composite is responsible for the high humidity stability. This study also demonstrates that the sensor has tremendous potential for intelligent object identification with a high level of 97.78% accuracy. Together with the position-detection capability of a triboelectric nanogenerator (TENG), advantages for potential industrial applications of the triple sensing system in terms of intelligent classification without seeing are foreseen. © 2024 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH.},
note = {Cited by: 4; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Xiao, Tianxiao; Tu, Suo; Tian, Ting; Chen, Wei; Cao, Wei; Liang, Suzhe; Guo, Renjun; Liu, Liangzhen; Li, Yanan; Guan, Tianfu; Liu, Haochen; Wang, Kai; Schwartzkopf, Matthias; Fischer, Roland A; Roth, Stephan V; Müller-Buschbaum, Peter

Autonomous self-healing hybrid energy harvester based on the combination of triboelectric nanogenerator and quantum dot solar cell Journal Article

Nano Energy, 125 , 2024, ISSN: 22112855, (Cited by: 3; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Xiao2024b,
title = {Autonomous self-healing hybrid energy harvester based on the combination of triboelectric nanogenerator and quantum dot solar cell},
author = {Tianxiao Xiao and Suo Tu and Ting Tian and Wei Chen and Wei Cao and Suzhe Liang and Renjun Guo and Liangzhen Liu and Yanan Li and Tianfu Guan and Haochen Liu and Kai Wang and Matthias Schwartzkopf and Roland A Fischer and Stephan V Roth and Peter Müller-Buschbaum},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85189558263&doi=10.1016%2fj.nanoen.2024.109555&partnerID=40&md5=fe94f06e4335e9dfe56b1d138c4a15ec},
doi = {10.1016/j.nanoen.2024.109555},
issn = {22112855},
year = {2024},
date = {2024-01-01},
journal = {Nano Energy},
volume = {125},
publisher = {Elsevier Ltd},
abstract = {Realization of multi-source energy harvesting with one single device would maximize power output. Thus, it is emerging as a promising strategy towards renewable energy generation and has attracted worldwide attention in the past decades. Capable of capturing mechanical energy that is ubiquitous in the ambient environment, triboelectric nanogenerator (TENG) has been considered a novel yet effective source towards next-generation energy harvesting. In this work, a flexible hybrid energy harvester (HEH) is developed via the rational integration of autonomous self-healing TENG and high bending-stable lead sulfide quantum dot (PbS QD) solar cell, enabling independent electricity generation by two different mechanisms. The single-electrode mode TENG component with self-healing is realized by a polydimethylsiloxane/Triton X-100 (PDMS/TX100) mixture as the dielectric layer and the shared gold (Au) electrode, which generates 0.39 µA of output current (Iout), 24.6 V of output voltages (Vout), 15.4 nC of transfer charges (Qsc), and 7.80 mW m−2 of output power peak density. The thin-film solar cell component is based on a PbS QD layer as the light absorber with a planar structure fabricated under low-cost and compatible conditions, achieving 22.8 mA cm−2 of short-circuit current density (Jsc) and 4.92% of power conversion efficiency (PCE). As a proof of concept, an electronic watch is successfully powered by harnessing ambient mechanical and solar energy with a hybridized energy cell. This approach will offer more opportunities to construct a versatile platform towards remote monitoring and smart home systems. © 2024 The Authors},
note = {Cited by: 3; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Kumar, Labeesh; Nandan, Bhanu; Sarkar, Swagato; König, Tobias A F; Pohl, Darius; Tsuda, Takuya; Zainuddin, Muhammad S B; Humenik, Martin; Scheibel, Thomas; Horechyy, Andriy

Enhanced photocatalytic performance of coaxially electrospun titania nanofibers comprising yolk-shell particles Journal Article

Journal of Colloid and Interface Science, 674 , pp. 560 – 575, 2024, ISSN: 00219797, (Cited by: 1; All Open Access, Hybrid Gold Open Access).

Abstract | Links | BibTeX | Tags:

@article{Kumar2024560,
title = {Enhanced photocatalytic performance of coaxially electrospun titania nanofibers comprising yolk-shell particles},
author = {Labeesh Kumar and Bhanu Nandan and Swagato Sarkar and Tobias A F König and Darius Pohl and Takuya Tsuda and Muhammad S B Zainuddin and Martin Humenik and Thomas Scheibel and Andriy Horechyy},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197361436&doi=10.1016%2fj.jcis.2024.06.133&partnerID=40&md5=80e88d019a726da6fa5ed4a36d48cc7f},
doi = {10.1016/j.jcis.2024.06.133},
issn = {00219797},
year = {2024},
date = {2024-01-01},
journal = {Journal of Colloid and Interface Science},
volume = {674},
pages = {560 – 575},
publisher = {Academic Press Inc.},
abstract = {The present paper reports the fabrication of novel types of hybrid fibrous photocatalysts by combining block copolymer (BCP) templating, sol–gel processing, and coaxial electrospinning techniques. Coaxial electrospinning produces core–shell nanofibers (NFs), which are converted into hollow porous TiO2 NFs using an oxidative calcination step. Hybrid BCP micelles comprising a single plasmonic nanoparticle (NP) in their core and thereof derived silica-coated core–shell particles are utilized as precursors to generate yolk-shell type particulate inclusions in photocatalytically active NFs. The catalytic and photocatalytic activity of calcined NFs comprising different types of yolk-shell particles is systematically investigated and compared. Interestingly, calcined NFs comprising silica-coated yolk-shells demonstrate enhanced catalytic and photocatalytic performance despite the presence of silica shell separating plasmonic NP from the TiO2 matrix. Electromagnetic simulations indicate that this enhancement is caused by a localized surface plasmon resonance and a confinement effect in silica-coated yolk-shells embedded in porous TiO2 NFs. Utilization of the coaxially electrospun TiO2 NFs in combination with yolk-shells comprising plasmonic NPs reveals to be a potent method for the photocatalytic decomposition of numerous pollutants. It is worth noting that this study stands as the first occurrence of combining yolk-shells (Au@void@SiO2) with porous electrospun NFs (TiO2) for photocatalytic purposes and gaining an understanding of plasmon and confinement effects for photocatalytic performance. This approach represents a promising route for fabricating highly active and up-scalable fibrous photocatalytic systems. © 2024 The Authors},
note = {Cited by: 1; All Open Access, Hybrid Gold Open Access},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

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