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321. | Vila-Liarte, David; Feil, Maximilian W; Manzi, Aurora; Garcia-Pomar, Juan Luis; Huang, He; Döblinger, Markus; Liz-Marzán, Luis M; Feldmann, Jochen; Polavarapu, Lakshminarayana; Mihi, Agustín: Templated-Assembly of CsPbBr3 Perovskite Nanocrystals into 2D Photonic Supercrystals with Amplified Spontaneous Emission. In: Angewandte Chemie International Edition, 59 (40), pp. 17750-17756, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{VilaLiarte2020, title = {Templated-Assembly of CsPbBr3 Perovskite Nanocrystals into 2D Photonic Supercrystals with Amplified Spontaneous Emission}, author = {David Vila-Liarte and Maximilian W Feil and Aurora Manzi and Juan Luis Garcia-Pomar and He Huang and Markus Döblinger and Luis M Liz-Marzán and Jochen Feldmann and Lakshminarayana Polavarapu and Agustín Mihi}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202006152}, doi = {https://doi.org/10.1002/anie.202006152}, year = {2020}, date = {2020-01-01}, journal = {Angewandte Chemie International Edition}, volume = {59}, number = {40}, pages = {17750-17756}, abstract = {Abstract Perovskite nanocrystals (NCs) have revolutionized optoelectronic devices because of their versatile optical properties. However, controlling and extending these functionalities often requires a light-management strategy involving additional processing steps. Herein, we introduce a simple approach to shape perovskite nanocrystals (NC) into photonic architectures that provide light management by directly shaping the active material. Pre-patterned polydimethylsiloxane (PDMS) templates are used for the template-induced self-assembly of 10 nm CsPbBr3 perovskite NC colloids into large area (1 cm2) 2D photonic crystals with tunable lattice spacing, ranging from 400 nm up to several microns. The photonic crystal arrangement facilitates efficient light coupling to the nanocrystal layer, thereby increasing the electric field intensity within the perovskite film. As a result, CsPbBr3 2D photonic crystals show amplified spontaneous emission (ASE) under lower optical excitation fluences in the near-IR, in contrast to equivalent flat NC films prepared using the same colloidal ink. This improvement is attributed to the enhanced multi-photon absorption caused by light trapping in the photonic crystal.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract Perovskite nanocrystals (NCs) have revolutionized optoelectronic devices because of their versatile optical properties. However, controlling and extending these functionalities often requires a light-management strategy involving additional processing steps. Herein, we introduce a simple approach to shape perovskite nanocrystals (NC) into photonic architectures that provide light management by directly shaping the active material. Pre-patterned polydimethylsiloxane (PDMS) templates are used for the template-induced self-assembly of 10 nm CsPbBr3 perovskite NC colloids into large area (1 cm2) 2D photonic crystals with tunable lattice spacing, ranging from 400 nm up to several microns. The photonic crystal arrangement facilitates efficient light coupling to the nanocrystal layer, thereby increasing the electric field intensity within the perovskite film. As a result, CsPbBr3 2D photonic crystals show amplified spontaneous emission (ASE) under lower optical excitation fluences in the near-IR, in contrast to equivalent flat NC films prepared using the same colloidal ink. This improvement is attributed to the enhanced multi-photon absorption caused by light trapping in the photonic crystal. |
322. | Gramlich, Moritz; Bohn, Bernhard J; Tong, Yu; Polavarapu, Lakshminarayana; Feldmann, Jochen; Urban, Alexander S: Thickness-Dependence of Exciton–Exciton Annihilation in Halide Perovskite Nanoplatelets. In: The Journal of Physical Chemistry Letters, 11 (13), pp. 5361-5366, 2020, (PMID: 32536167). (Type: Journal Article | Abstract | Links | BibTeX) @article{Gramlich2020, title = {Thickness-Dependence of Exciton–Exciton Annihilation in Halide Perovskite Nanoplatelets}, author = {Moritz Gramlich and Bernhard J Bohn and Yu Tong and Lakshminarayana Polavarapu and Jochen Feldmann and Alexander S Urban}, url = {https://doi.org/10.1021/acs.jpclett.0c01291}, doi = {10.1021/acs.jpclett.0c01291}, year = {2020}, date = {2020-01-01}, journal = {The Journal of Physical Chemistry Letters}, volume = {11}, number = {13}, pages = {5361-5366}, abstract = {Exciton–exciton annihilation (EEA) and Auger recombination are detrimental processes occurring in semiconductor optoelectronic devices at high carrier densities. Despite constituting one of the main obstacles for realizing lasing in semiconductor nanocrystals (NCs), the dependencies on NC size are not fully understood, especially for those with both weakly and strongly confined dimensions. Here, we use differential transmission spectroscopy to investigate the dependence of EEA on the physical dimensions of thickness-controlled 2D halide perovskite nanoplatelets (NPls). We find the EEA lifetimes to be extremely short on the order of 7–60 ps. Moreover, they are strongly determined by the NPl thickness with a power law dependence according to τ2 ∝ d5.3. Additional measurements show that the EEA lifetimes also increase for NPls with larger lateral dimensions. These results show that a precise control of the physical dimensions is critical for deciphering the fundamental laws governing the process especially in 1D and 2D NCs.}, note = {PMID: 32536167}, keywords = {}, pubstate = {published}, tppubtype = {article} } Exciton–exciton annihilation (EEA) and Auger recombination are detrimental processes occurring in semiconductor optoelectronic devices at high carrier densities. Despite constituting one of the main obstacles for realizing lasing in semiconductor nanocrystals (NCs), the dependencies on NC size are not fully understood, especially for those with both weakly and strongly confined dimensions. Here, we use differential transmission spectroscopy to investigate the dependence of EEA on the physical dimensions of thickness-controlled 2D halide perovskite nanoplatelets (NPls). We find the EEA lifetimes to be extremely short on the order of 7–60 ps. Moreover, they are strongly determined by the NPl thickness with a power law dependence according to τ2 ∝ d5.3. Additional measurements show that the EEA lifetimes also increase for NPls with larger lateral dimensions. These results show that a precise control of the physical dimensions is critical for deciphering the fundamental laws governing the process especially in 1D and 2D NCs. |
323. | Strohmair, Simone; Dey, Amrita; Tong, Yu; Polavarapu, Lakshminarayana; Bohn, Bernhard J; Feldmann, Jochen: Spin Polarization Dynamics of Free Charge Carriers in CsPbI3 Nanocrystals. In: Nano Letters, 20 (7), pp. 4724-4730, 2020, (PMID: 32453960). (Type: Journal Article | Abstract | Links | BibTeX) @article{Strohmair2020, title = {Spin Polarization Dynamics of Free Charge Carriers in CsPbI3 Nanocrystals}, author = {Simone Strohmair and Amrita Dey and Yu Tong and Lakshminarayana Polavarapu and Bernhard J Bohn and Jochen Feldmann}, url = {https://doi.org/10.1021/acs.nanolett.9b05325}, doi = {10.1021/acs.nanolett.9b05325}, year = {2020}, date = {2020-01-01}, journal = {Nano Letters}, volume = {20}, number = {7}, pages = {4724-4730}, abstract = {Lead halide perovskites (LHPs) exhibit large spin–orbit coupling (SOC), leading to only twofold-degenerate valence and conduction bands and therefore allowing for efficient optical orientation. This makes them ideal materials to study charge carrier spins. With this study we elucidate the spin dynamics of photoexcited charge carriers and the underlying spin relaxation mechanisms in CsPbI3 nanocrystals by employing time-resolved differential transmission spectroscopy (DTS). We find that the photoinduced spin polarization significantly diminishes during thermalization and cooling toward the energetically favorable band edge. Temperature-dependent DTS reveals a decay in spin polarization that is more than 1 order of magnitude faster at room temperature (3 ps) than at cryogenic temperatures (32 ps). We propose that spin relaxation of free charge carriers in large-SOC materials like LHPs occurs as a result of carrier–phonon scattering, as described by the Elliott–Yafet mechanism.}, note = {PMID: 32453960}, keywords = {}, pubstate = {published}, tppubtype = {article} } Lead halide perovskites (LHPs) exhibit large spin–orbit coupling (SOC), leading to only twofold-degenerate valence and conduction bands and therefore allowing for efficient optical orientation. This makes them ideal materials to study charge carrier spins. With this study we elucidate the spin dynamics of photoexcited charge carriers and the underlying spin relaxation mechanisms in CsPbI3 nanocrystals by employing time-resolved differential transmission spectroscopy (DTS). We find that the photoinduced spin polarization significantly diminishes during thermalization and cooling toward the energetically favorable band edge. Temperature-dependent DTS reveals a decay in spin polarization that is more than 1 order of magnitude faster at room temperature (3 ps) than at cryogenic temperatures (32 ps). We propose that spin relaxation of free charge carriers in large-SOC materials like LHPs occurs as a result of carrier–phonon scattering, as described by the Elliott–Yafet mechanism. |
324. | Dey, Amrita; Richter, Alexander F; Debnath, Tushar; Huang, He; Polavarapu, Lakshminarayana; Feldmann, Jochen: Transfer of Direct to Indirect Bound Excitons by Electron Intervalley Scattering in Cs2AgBiBr6 Double Perovskite Nanocrystals. In: ACS Nano, 14 (5), pp. 5855-5861, 2020, (PMID: 32298081). (Type: Journal Article | Abstract | Links | BibTeX) @article{Dey2020, title = {Transfer of Direct to Indirect Bound Excitons by Electron Intervalley Scattering in Cs2AgBiBr6 Double Perovskite Nanocrystals}, author = {Amrita Dey and Alexander F Richter and Tushar Debnath and He Huang and Lakshminarayana Polavarapu and Jochen Feldmann}, url = {https://doi.org/10.1021/acsnano.0c00997}, doi = {10.1021/acsnano.0c00997}, year = {2020}, date = {2020-01-01}, journal = {ACS Nano}, volume = {14}, number = {5}, pages = {5855-5861}, abstract = {Lead-free halide double perovskites have emerged as a nontoxic alternative to the heavily researched lead-based halide perovskites. However, their optical properties and the initial charge carrier relaxation processes are under debate. In this study, we apply time-resolved photoluminescence and differential transmission spectroscopy to investigate the photoexcited charge carrier dynamics within the indirect band structure of Cs2AgBiBr6 nanocrystals. Interestingly, we observe a high energetic emission stemming from the direct band gap, besides the previously reported emission from the indirect band gap transition. We attribute this emission to the radiative recombination of direct bound excitons. This emission maximum redshifts nearly 1 eV within 10 ps due to electron intervalley scattering, which leads to a transfer of direct to indirect bound excitons. We conclude that these direct bound excitons possess a giant oscillator strength causing not only a pronounced absorption peak at the optical band gap energy but also luminescence to occur at the direct band gap transition in spite of the prevailing intervalley scattering process. These results expand the understanding of the optical properties and the charge carrier relaxation in double perovskites, thus, facilitating the further development of optoelectronic devices harnessing lead-free perovskites.}, note = {PMID: 32298081}, keywords = {}, pubstate = {published}, tppubtype = {article} } Lead-free halide double perovskites have emerged as a nontoxic alternative to the heavily researched lead-based halide perovskites. However, their optical properties and the initial charge carrier relaxation processes are under debate. In this study, we apply time-resolved photoluminescence and differential transmission spectroscopy to investigate the photoexcited charge carrier dynamics within the indirect band structure of Cs2AgBiBr6 nanocrystals. Interestingly, we observe a high energetic emission stemming from the direct band gap, besides the previously reported emission from the indirect band gap transition. We attribute this emission to the radiative recombination of direct bound excitons. This emission maximum redshifts nearly 1 eV within 10 ps due to electron intervalley scattering, which leads to a transfer of direct to indirect bound excitons. We conclude that these direct bound excitons possess a giant oscillator strength causing not only a pronounced absorption peak at the optical band gap energy but also luminescence to occur at the direct band gap transition in spite of the prevailing intervalley scattering process. These results expand the understanding of the optical properties and the charge carrier relaxation in double perovskites, thus, facilitating the further development of optoelectronic devices harnessing lead-free perovskites. |
325. | Paul, Sharmistha; Bladt, Eva; Richter, Alexander F; Döblinger, Markus; Tong, Yu; Huang, He; Dey, Amrita; Bals, Sara; Debnath, Tushar; Polavarapu, Lakshminarayana; Feldmann, Jochen: Manganese-Doping-Induced Quantum Confinement within Host Perovskite Nanocrystals through Ruddlesden–Popper Defects. In: Angewandte Chemie International Edition, 59 (17), pp. 6794-6799, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Paul2020, title = {Manganese-Doping-Induced Quantum Confinement within Host Perovskite Nanocrystals through Ruddlesden–Popper Defects}, author = {Sharmistha Paul and Eva Bladt and Alexander F Richter and Markus Döblinger and Yu Tong and He Huang and Amrita Dey and Sara Bals and Tushar Debnath and Lakshminarayana Polavarapu and Jochen Feldmann}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201914473}, doi = {https://doi.org/10.1002/anie.201914473}, year = {2020}, date = {2020-01-01}, journal = {Angewandte Chemie International Edition}, volume = {59}, number = {17}, pages = {6794-6799}, abstract = {Abstract The concept of doping Mn2+ ions into II–VI semiconductor nanocrystals (NCs) was recently extended to perovskite NCs. To date, most studies on Mn2+ doped NCs focus on enhancing the emission related to the Mn2+ dopant via an energy transfer mechanism. Herein, we found that the doping of Mn2+ ions into CsPbCl3 NCs not only results in a Mn2+-related orange emission, but also strongly influences the excitonic properties of the host NCs. We observe for the first time that Mn2+ doping leads to the formation of Ruddlesden–Popper (R.P.) defects and thus induces quantum confinement within the host NCs. We find that a slight doping with Mn2+ ions improves the size distribution of the NCs, which results in a prominent excitonic peak. However, with increasing the Mn2+ concentration, the number of R.P. planes increases leading to smaller single-crystal domains. The thus enhanced confinement and crystal inhomogeneity cause a gradual blue shift and broadening of the excitonic transition, respectively.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract The concept of doping Mn2+ ions into II–VI semiconductor nanocrystals (NCs) was recently extended to perovskite NCs. To date, most studies on Mn2+ doped NCs focus on enhancing the emission related to the Mn2+ dopant via an energy transfer mechanism. Herein, we found that the doping of Mn2+ ions into CsPbCl3 NCs not only results in a Mn2+-related orange emission, but also strongly influences the excitonic properties of the host NCs. We observe for the first time that Mn2+ doping leads to the formation of Ruddlesden–Popper (R.P.) defects and thus induces quantum confinement within the host NCs. We find that a slight doping with Mn2+ ions improves the size distribution of the NCs, which results in a prominent excitonic peak. However, with increasing the Mn2+ concentration, the number of R.P. planes increases leading to smaller single-crystal domains. The thus enhanced confinement and crystal inhomogeneity cause a gradual blue shift and broadening of the excitonic transition, respectively. |
326. | Huang, He; Wu, Linzhong; Wang, Yiou; Richter, Alexander F; Döblinger, Markus; Feldmann, Jochen: Facile Synthesis of FAPbI3 Nanorods. In: Nanomaterials, 10 (1), 2020, ISSN: 2079-4991. (Type: Journal Article | Abstract | Links | BibTeX) @article{Huang2020a, title = {Facile Synthesis of FAPbI3 Nanorods}, author = {He Huang and Linzhong Wu and Yiou Wang and Alexander F Richter and Markus Döblinger and Jochen Feldmann}, url = {https://www.mdpi.com/2079-4991/10/1/72}, doi = {10.3390/nano10010072}, issn = {2079-4991}, year = {2020}, date = {2020-01-01}, journal = {Nanomaterials}, volume = {10}, number = {1}, abstract = {Metal halide perovskites are promising materials for a range of applications. The synthesis of light-emitting perovskite nanorods has become popular recently. Thus far, the facile synthesis of perovskite nanorods remains elusive. In this work, we have developed a facile synthesis to fabricate FAPbI3 nanorods for the first time, demonstrating a high photoluminescence quantum yield of 35–42%. The fabrication of the nanorods has been made possible by carefully tuning the concentration of formamidine-oleate as well as the amount of oleic acid with pre-dissolved PbI2 in toluene with oleic acid/oleylamine.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Metal halide perovskites are promising materials for a range of applications. The synthesis of light-emitting perovskite nanorods has become popular recently. Thus far, the facile synthesis of perovskite nanorods remains elusive. In this work, we have developed a facile synthesis to fabricate FAPbI3 nanorods for the first time, demonstrating a high photoluminescence quantum yield of 35–42%. The fabrication of the nanorods has been made possible by carefully tuning the concentration of formamidine-oleate as well as the amount of oleic acid with pre-dissolved PbI2 in toluene with oleic acid/oleylamine. |
327. | Chen, Wei; Liang, Suzhe; Löhrer, Franziska C; Schaper, Simon J; Li, Nian; Cao, Wei; Kreuzer, Lucas P; Liu, Haochen; Tang, Haodong; Körstgens, Volker; Schwartzkopf, Matthias; Wang, Kai; Sun, Xiao Wei; Roth, Stephan V; Müller-Buschbaum, Peter: In situ Grazing-Incidence Small-Angle X-ray Scattering Observation of Gold Sputter Deposition on a PbS Quantum Dot Solid. In: ACS Applied Materials & Interfaces, 12 (41), pp. 46942-46952, 2020, (PMID: 32941012). (Type: Journal Article | Abstract | Links | BibTeX) @article{Chen2020, title = {In situ Grazing-Incidence Small-Angle X-ray Scattering Observation of Gold Sputter Deposition on a PbS Quantum Dot Solid}, author = {Wei Chen and Suzhe Liang and Franziska C Löhrer and Simon J Schaper and Nian Li and Wei Cao and Lucas P Kreuzer and Haochen Liu and Haodong Tang and Volker Körstgens and Matthias Schwartzkopf and Kai Wang and Xiao Wei Sun and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://doi.org/10.1021/acsami.0c12732}, doi = {10.1021/acsami.0c12732}, year = {2020}, date = {2020-01-01}, journal = {ACS Applied Materials & Interfaces}, volume = {12}, number = {41}, pages = {46942-46952}, abstract = {For PbS quantum dot (QD)-based optoelectronic devices, gold is the most frequently used electrode material. In most device architectures, gold is in direct contact with the QD solid. To better understand the formation of the interface between gold and a close-packed QD layer at an early stage, in situ grazing-incidence small-angle X-ray scattering is used to observe the gold sputter deposition on a 1,2-ethanedithiol (EDT)-treated PbS QD solid. In the kinetics of gold layer growth, the forming and merging of small gold clusters (radius less than 1.6 nm) are observed at the early stages. The thereby formed medium gold clusters (radius between 1.9–2.4 nm) are influenced by the QDs’ templating effect. Furthermore, simulations suggest that the medium gold clusters grow preferably along the QDs’ boundaries rather than as a top coating of the QDs. When the thickness of the sputtered gold layer reaches 6.25 nm, larger gold clusters with a radius of 5.3 nm form. Simultaneously, a percolation layer with a thickness of 2.5 nm is established underneath the gold clusters. This fundamental understanding of the QD–gold interface formation will help to control the implementation of sputtered gold electrodes on close-packed QD solids in device manufacturing processes.}, note = {PMID: 32941012}, keywords = {}, pubstate = {published}, tppubtype = {article} } For PbS quantum dot (QD)-based optoelectronic devices, gold is the most frequently used electrode material. In most device architectures, gold is in direct contact with the QD solid. To better understand the formation of the interface between gold and a close-packed QD layer at an early stage, in situ grazing-incidence small-angle X-ray scattering is used to observe the gold sputter deposition on a 1,2-ethanedithiol (EDT)-treated PbS QD solid. In the kinetics of gold layer growth, the forming and merging of small gold clusters (radius less than 1.6 nm) are observed at the early stages. The thereby formed medium gold clusters (radius between 1.9–2.4 nm) are influenced by the QDs’ templating effect. Furthermore, simulations suggest that the medium gold clusters grow preferably along the QDs’ boundaries rather than as a top coating of the QDs. When the thickness of the sputtered gold layer reaches 6.25 nm, larger gold clusters with a radius of 5.3 nm form. Simultaneously, a percolation layer with a thickness of 2.5 nm is established underneath the gold clusters. This fundamental understanding of the QD–gold interface formation will help to control the implementation of sputtered gold electrodes on close-packed QD solids in device manufacturing processes. |
328. | Hohn, Nuri; Wang, Xiaoyan; Giebel, Michael A; Yin, Shanshan; Müller, David; Hetzenecker, Andreas E; Bießmann, Lorenz; Kreuzer, Lucas P; Möhl, Gilles E; Yu, Haoyang; Veinot, Jonathan G C; Fässler, Thomas F; Cheng, Ya-Jun; Müller-Buschbaum, Peter: Mesoporous GeOx/Ge/C as a Highly Reversible Anode Material with High Specific Capacity for Lithium-Ion Batteries. In: ACS Applied Materials & Interfaces, 12 (41), pp. 47002-47009, 2020, (PMID: 32955236). (Type: Journal Article | Abstract | Links | BibTeX) @article{Hohn2020, title = {Mesoporous GeOx/Ge/C as a Highly Reversible Anode Material with High Specific Capacity for Lithium-Ion Batteries}, author = {Nuri Hohn and Xiaoyan Wang and Michael A Giebel and Shanshan Yin and David Müller and Andreas E Hetzenecker and Lorenz Bießmann and Lucas P Kreuzer and Gilles E Möhl and Haoyang Yu and Jonathan G C Veinot and Thomas F Fässler and Ya-Jun Cheng and Peter Müller-Buschbaum}, url = {https://doi.org/10.1021/acsami.0c13560}, doi = {10.1021/acsami.0c13560}, year = {2020}, date = {2020-01-01}, journal = {ACS Applied Materials & Interfaces}, volume = {12}, number = {41}, pages = {47002-47009}, abstract = {Nanostructured Ge is considered a highly promising material for Li-ion battery applications as Ge offers high specific capacity and Li-ion diffusivity, while inherent mesoporous nanostructures can contribute resistance against capacity fading as typically induced by high volume expansion in bulk Ge films. Mesoporous GeOx/Ge/C films are synthesized using K4Ge9 Zintl clusters as a Ge precursor and the amphiphilic diblock copolymer polystyrene-block-polyethylene oxide as a templating tool. As compared to a reference sample without post-treatment, enhanced surface-to-volume ratios are achieved through post-treatment with a poor-good azeotrope solvent mixture. High capacities of over 2000 mA h g–1 are obtained with good stability over 300 cycles. Information from morphological and compositional characterization for both reference and post-treated sample suggests that the good electrochemical performance originates from reversible GeO2 conversion reactions.}, note = {PMID: 32955236}, keywords = {}, pubstate = {published}, tppubtype = {article} } Nanostructured Ge is considered a highly promising material for Li-ion battery applications as Ge offers high specific capacity and Li-ion diffusivity, while inherent mesoporous nanostructures can contribute resistance against capacity fading as typically induced by high volume expansion in bulk Ge films. Mesoporous GeOx/Ge/C films are synthesized using K4Ge9 Zintl clusters as a Ge precursor and the amphiphilic diblock copolymer polystyrene-block-polyethylene oxide as a templating tool. As compared to a reference sample without post-treatment, enhanced surface-to-volume ratios are achieved through post-treatment with a poor-good azeotrope solvent mixture. High capacities of over 2000 mA h g–1 are obtained with good stability over 300 cycles. Information from morphological and compositional characterization for both reference and post-treated sample suggests that the good electrochemical performance originates from reversible GeO2 conversion reactions. |
329. | Zhao, Heng; Naveed, Hafiz Bilal; Lin, Baojun; Zhou, Xiaobo; Yuan, Jian; Zhou, Ke; Wu, Hongbo; Guo, Renjun; Scheel, Manuel A; Chumakov, Andrei; Roth, Stephan V; Tang, Zheng; Müller-Buschbaum, Peter; Ma, Wei: Hot Hydrocarbon-Solvent Slot-Die Coating Enables High-Efficiency Organic Solar Cells with Temperature-Dependent Aggregation Behavior. In: Advanced Materials, 32 (39), pp. 2002302, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Zhao2020, title = {Hot Hydrocarbon-Solvent Slot-Die Coating Enables High-Efficiency Organic Solar Cells with Temperature-Dependent Aggregation Behavior}, author = {Heng Zhao and Hafiz Bilal Naveed and Baojun Lin and Xiaobo Zhou and Jian Yuan and Ke Zhou and Hongbo Wu and Renjun Guo and Manuel A Scheel and Andrei Chumakov and Stephan V Roth and Zheng Tang and Peter Müller-Buschbaum and Wei Ma}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/adma.202002302}, doi = {https://doi.org/10.1002/adma.202002302}, year = {2020}, date = {2020-01-01}, journal = {Advanced Materials}, volume = {32}, number = {39}, pages = {2002302}, abstract = {Abstract Organic solar cells (OSCs) have made rapid progress in terms of their development as a sustainable energy source. However, record-breaking devices have not shown compatibility with large-scale production via solution processing in particular due to the use of halogenated environment-threatening solvents. Here, slot-die fabrication with processing involving hydrocarbon-based solvents is used to realize highly efficient and environmentally friendly OSCs. Highly compatible slot-die coating with roll-to-roll processing using halogenated (chlorobenzene (CB)) and hydrocarbon solvents (1,2,4-trimethylbenzene (TMB) and ortho-xylene (o-XY)) is used to fabricate photoactive films. Controlled solution and substrate temperatures enable similar aggregation states in the solution and similar kinetics processes during film formation. The optimized blend film nanostructures for different solvents in the highly efficient PM6:Y6 blend is adopted to show a similar morphology, which results in device efficiencies of 15.2%, 15.4%, and 15.6% for CB, TMB, and o-XY solvents. This approach is successfully extended to other donor–acceptor combinations to demonstrate the excellent universality of this method. The results combine a method to optimize the aggregation state and film formation kinetics with the fabrication of OSCs with environmentally friendly solvents by slot-die coating, which is a critical finding for the future development of OSCs in terms of their scalable production and high-performance.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract Organic solar cells (OSCs) have made rapid progress in terms of their development as a sustainable energy source. However, record-breaking devices have not shown compatibility with large-scale production via solution processing in particular due to the use of halogenated environment-threatening solvents. Here, slot-die fabrication with processing involving hydrocarbon-based solvents is used to realize highly efficient and environmentally friendly OSCs. Highly compatible slot-die coating with roll-to-roll processing using halogenated (chlorobenzene (CB)) and hydrocarbon solvents (1,2,4-trimethylbenzene (TMB) and ortho-xylene (o-XY)) is used to fabricate photoactive films. Controlled solution and substrate temperatures enable similar aggregation states in the solution and similar kinetics processes during film formation. The optimized blend film nanostructures for different solvents in the highly efficient PM6:Y6 blend is adopted to show a similar morphology, which results in device efficiencies of 15.2%, 15.4%, and 15.6% for CB, TMB, and o-XY solvents. This approach is successfully extended to other donor–acceptor combinations to demonstrate the excellent universality of this method. The results combine a method to optimize the aggregation state and film formation kinetics with the fabrication of OSCs with environmentally friendly solvents by slot-die coating, which is a critical finding for the future development of OSCs in terms of their scalable production and high-performance. |
330. | Yin, Shanshan; Tian, Ting; Wienhold, Kerstin S; Weindl, Christian L; Guo, Renjun; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter: Key Factor Study for Amphiphilic Block Copolymer-Templated Mesoporous SnO2 Thin Film Synthesis: Influence of Solvent and Catalyst. In: Advanced Materials Interfaces, 7 (18), pp. 2001002, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Yin2020, title = {Key Factor Study for Amphiphilic Block Copolymer-Templated Mesoporous SnO2 Thin Film Synthesis: Influence of Solvent and Catalyst}, author = {Shanshan Yin and Ting Tian and Kerstin S Wienhold and Christian L Weindl and Renjun Guo and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/admi.202001002}, doi = {https://doi.org/10.1002/admi.202001002}, year = {2020}, date = {2020-01-01}, journal = {Advanced Materials Interfaces}, volume = {7}, number = {18}, pages = {2001002}, abstract = {Abstract As a crucial material in the field of energy storage, SnO2 thin films are widely applied in daily life and have been in the focus of scientific research. Compared to the planar counterpart, mesoporous SnO2 thin films with high specific surface area possess more attractive physical and chemical properties. In the present work, a novel amphiphilic block copolymer-assisted sol–gel chemistry is utilized for the synthesis of porous tin oxide (SnO2). Two key factors for the sol–gel stock solution preparation, the solvent category and the catalyst content, are systematically varied to tune the thin film morphologies. A calcination process is performed to remove the polymer template at 500 °C in ambient conditions. The surface morphology and the buried inner structure are probed with scanning electron microscope and grazing-incidence small-angle X-ray scattering. Crystallinity is characterized by X-ray diffraction. The multi-dimensional characterization results suggest that cassiterite SnO2 with spherical, cylindrical, and vesicular pore structures are obtained. The variation of the film morphology is governed by the preferential affinity of the utilized solvent mixture and the hydrogen bond interaction between the employed cycloether and H2O molecules in the solution.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract As a crucial material in the field of energy storage, SnO2 thin films are widely applied in daily life and have been in the focus of scientific research. Compared to the planar counterpart, mesoporous SnO2 thin films with high specific surface area possess more attractive physical and chemical properties. In the present work, a novel amphiphilic block copolymer-assisted sol–gel chemistry is utilized for the synthesis of porous tin oxide (SnO2). Two key factors for the sol–gel stock solution preparation, the solvent category and the catalyst content, are systematically varied to tune the thin film morphologies. A calcination process is performed to remove the polymer template at 500 °C in ambient conditions. The surface morphology and the buried inner structure are probed with scanning electron microscope and grazing-incidence small-angle X-ray scattering. Crystallinity is characterized by X-ray diffraction. The multi-dimensional characterization results suggest that cassiterite SnO2 with spherical, cylindrical, and vesicular pore structures are obtained. The variation of the film morphology is governed by the preferential affinity of the utilized solvent mixture and the hydrogen bond interaction between the employed cycloether and H2O molecules in the solution. |
331. | Chen, Wei; Tang, Haodong; Chen, Yulong; Heger, Julian E; Li, Nian; Kreuzer, Lucas P; Xie, Yue; Li, Depeng; Anthony, Carl; Pikramenou, Zoe; Ng, Kar Wei; Sun, Xiao Wei; Wang, Kai; Müller-Buschbaum, Peter: Spray-deposited PbS colloidal quantum dot solid for near-infrared photodetectors. In: Nano Energy, 78 , pp. 105254, 2020, ISSN: 2211-2855. (Type: Journal Article | Abstract | Links | BibTeX) @article{Chen2020a, title = {Spray-deposited PbS colloidal quantum dot solid for near-infrared photodetectors}, author = {Wei Chen and Haodong Tang and Yulong Chen and Julian E Heger and Nian Li and Lucas P Kreuzer and Yue Xie and Depeng Li and Carl Anthony and Zoe Pikramenou and Kar Wei Ng and Xiao Wei Sun and Kai Wang and Peter Müller-Buschbaum}, url = {http://www.sciencedirect.com/science/article/pii/S2211285520308326}, doi = {https://doi.org/10.1016/j.nanoen.2020.105254}, issn = {2211-2855}, year = {2020}, date = {2020-01-01}, journal = {Nano Energy}, volume = {78}, pages = {105254}, abstract = {Colloidal PbS quantum dots (QDs) are promising candidates for various optoelectronic applications based on solution-processed thin-film techniques. In this work, a versatile layer-by-layer (LBL) spray deposition of the QDs is introduced aiming for a future large-scale fabrication process of optoelectronic devices. As compared to spin-coated QD solids, a smaller inter-dot distance and a better-ordered superlattice stacking behavior of the QDs are found in the spray-deposited QD solids as confirmed by grazing-incidence small-angle X-ray scattering (GISAXS). The spectral mapping combined time-resolved photoluminescence analysis indicates a longer charge carrier lifetime and better order of the energy state distribution of the spray-deposited QD solid comparing with the spin-coated one. Thus, photodetectors based on spray deposition of QD solids demonstrate an excellent device performance, with the responsivity achieving 365.1 A/W and the detectivity reaching up to 1.4 × 1012 Jones under an illumination power of 63.5 μW/cm2 at a wavelength of 1250 nm. The spray-deposited device performances indicate a great potential of spray deposition of large sized QDs in large-scale fabrications for optoelectronics using longer wavelengths.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Colloidal PbS quantum dots (QDs) are promising candidates for various optoelectronic applications based on solution-processed thin-film techniques. In this work, a versatile layer-by-layer (LBL) spray deposition of the QDs is introduced aiming for a future large-scale fabrication process of optoelectronic devices. As compared to spin-coated QD solids, a smaller inter-dot distance and a better-ordered superlattice stacking behavior of the QDs are found in the spray-deposited QD solids as confirmed by grazing-incidence small-angle X-ray scattering (GISAXS). The spectral mapping combined time-resolved photoluminescence analysis indicates a longer charge carrier lifetime and better order of the energy state distribution of the spray-deposited QD solid comparing with the spin-coated one. Thus, photodetectors based on spray deposition of QD solids demonstrate an excellent device performance, with the responsivity achieving 365.1 A/W and the detectivity reaching up to 1.4 × 1012 Jones under an illumination power of 63.5 μW/cm2 at a wavelength of 1250 nm. The spray-deposited device performances indicate a great potential of spray deposition of large sized QDs in large-scale fabrications for optoelectronics using longer wavelengths. |
332. | Wienhold, Kerstin S; Weindl, Christian L; Yin, Shanshan; Tian, Ting; Schwartzkopf, Matthias; Rothkirch, André; Roth, Stephan V; Müller-Buschbaum, Peter: Following In Situ the Evolution of Morphology and Optical Properties during Printing of Thin Films for Application in Non-Fullerene Acceptor Based Organic Solar Cells. In: ACS Applied Materials & Interfaces, 12 (36), pp. 40381-40392, 2020, (PMID: 32805887). (Type: Journal Article | Abstract | Links | BibTeX) @article{Wienhold2020, title = {Following In Situ the Evolution of Morphology and Optical Properties during Printing of Thin Films for Application in Non-Fullerene Acceptor Based Organic Solar Cells}, author = {Kerstin S Wienhold and Christian L Weindl and Shanshan Yin and Ting Tian and Matthias Schwartzkopf and André Rothkirch and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://doi.org/10.1021/acsami.0c12390}, doi = {10.1021/acsami.0c12390}, year = {2020}, date = {2020-01-01}, journal = {ACS Applied Materials & Interfaces}, volume = {12}, number = {36}, pages = {40381-40392}, abstract = {In situ printing gives insight into the evolution of morphology and optical properties during slot-die coating of active layers for application in organic solar cells and enables an upscaling and optimization of the thin film deposition process and the photovoltaic performance. Active layers based on the conjugated polymer donor with benzodithiophene units PBDB-T-2Cl and the non-fullerene small-molecule acceptor IT-4F are printed with a slot-die coating technique and probed in situ with grazing incidence small-angle X-ray scattering, grazing incidence wide-angle X-ray scattering, and ultraviolet/visible light spectroscopy. The formation of the morphology is followed from the liquid state to the final dry film for different printing conditions (at 25 and 35 °C), and five regimes of film formation are determined. The morphological changes are correlated to changing optical properties. During the film formation, crystallization of the non-fullerene small-molecule acceptor takes place and polymer domains with sizes of some tens of nanometers emerge. A red shift of the optical band gap and a broadening of the absorbance spectrum occurs, which allow for exploiting the sun spectrum more efficiently and are expected to have a favorable effect on the solar cell performance.}, note = {PMID: 32805887}, keywords = {}, pubstate = {published}, tppubtype = {article} } In situ printing gives insight into the evolution of morphology and optical properties during slot-die coating of active layers for application in organic solar cells and enables an upscaling and optimization of the thin film deposition process and the photovoltaic performance. Active layers based on the conjugated polymer donor with benzodithiophene units PBDB-T-2Cl and the non-fullerene small-molecule acceptor IT-4F are printed with a slot-die coating technique and probed in situ with grazing incidence small-angle X-ray scattering, grazing incidence wide-angle X-ray scattering, and ultraviolet/visible light spectroscopy. The formation of the morphology is followed from the liquid state to the final dry film for different printing conditions (at 25 and 35 °C), and five regimes of film formation are determined. The morphological changes are correlated to changing optical properties. During the film formation, crystallization of the non-fullerene small-molecule acceptor takes place and polymer domains with sizes of some tens of nanometers emerge. A red shift of the optical band gap and a broadening of the absorbance spectrum occurs, which allow for exploiting the sun spectrum more efficiently and are expected to have a favorable effect on the solar cell performance. |
333. | Yang, Dan; Grott, Sebastian; Jiang, Xinyu; Wienhold, Kerstin S; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter: In Situ Studies of Solvent Additive Effects on the Morphology Development during Printing of Bulk Heterojunction Films for Organic Solar Cells. In: Small Methods, 4 (9), pp. 2000418, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Yang2020, title = {In Situ Studies of Solvent Additive Effects on the Morphology Development during Printing of Bulk Heterojunction Films for Organic Solar Cells}, author = {Dan Yang and Sebastian Grott and Xinyu Jiang and Kerstin S Wienhold and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/smtd.202000418}, doi = {https://doi.org/10.1002/smtd.202000418}, year = {2020}, date = {2020-01-01}, journal = {Small Methods}, volume = {4}, number = {9}, pages = {2000418}, abstract = {Abstract The development of polymer morphology and crystallinity of printed bulk heterojunction (BHJ) films doped with the different solvent additives 1,8-diiodooctane (DIO) or diphenyl ether (DPE) is investigated with in situ grazing-incidence small/wide-angle X-ray scattering. The solvent additives, having different boiling points, lead to a different film drying behavior and morphology growth states in the BHJ films of the benzothiadiazole-based polymer (PPDT2FBT) and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM). The phase demixing in the printed films is changing over time along with solvent evaporation. Polymer domains start aggregating to form larger domains in the liquid–liquid phase, while phase separation mainly occurs in the liquid–solid phase. The present work provides a profound insight into the morphology development of printed BHJ films doped with different solvent additives, which is particularly important for the large-scale fabrication of organic photovoltaics.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract The development of polymer morphology and crystallinity of printed bulk heterojunction (BHJ) films doped with the different solvent additives 1,8-diiodooctane (DIO) or diphenyl ether (DPE) is investigated with in situ grazing-incidence small/wide-angle X-ray scattering. The solvent additives, having different boiling points, lead to a different film drying behavior and morphology growth states in the BHJ films of the benzothiadiazole-based polymer (PPDT2FBT) and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM). The phase demixing in the printed films is changing over time along with solvent evaporation. Polymer domains start aggregating to form larger domains in the liquid–liquid phase, while phase separation mainly occurs in the liquid–solid phase. The present work provides a profound insight into the morphology development of printed BHJ films doped with different solvent additives, which is particularly important for the large-scale fabrication of organic photovoltaics. |
334. | Wienhold, Kerstin S; Chen, Wei; Yin, Shanshan; Guo, Renjun; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter: Following in Operando the Structure Evolution-Induced Degradation in Printed Organic Solar Cells with Nonfullerene Small Molecule Acceptor. In: Solar RRL, 4 (9), pp. 2000251, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Wienhold2020a, title = {Following in Operando the Structure Evolution-Induced Degradation in Printed Organic Solar Cells with Nonfullerene Small Molecule Acceptor}, author = {Kerstin S Wienhold and Wei Chen and Shanshan Yin and Renjun Guo and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/solr.202000251}, doi = {https://doi.org/10.1002/solr.202000251}, year = {2020}, date = {2020-01-01}, journal = {Solar RRL}, volume = {4}, number = {9}, pages = {2000251}, abstract = {Understanding the degradation mechanisms of printed bulk-heterojunction (BHJ) organic solar cells during operation is essential to achieve long-term stability and realize real-world applications of organic photovoltaics. Herein, the degradation of printed organic solar cells based on the conjugated benzodithiophene polymer PBDB-T-SF and the nonfullerene small molecule acceptor IT-4F with 0.25 vol% 1,8-diiodooctane (DIO) solvent additive is studied in operando for two different donor:acceptor ratios. The inner nano-morphology is analyzed with grazing incidence small angle X-ray scattering (GISAXS), and current–voltage (I–V) characteristics are probed simultaneously. Irrespective of the mixing ratio, degradation occurs by the same degradation mechanism. A decrease in the short-circuit current density (JSC) is identified to be the determining factor for the decline of the power conversion efficiency. The decrease in JSC is induced by a reduction of the relative interface area between the conjugated polymer and the small molecule acceptor in the BHJ structure, resembling the morphological degradation of the active layer.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Understanding the degradation mechanisms of printed bulk-heterojunction (BHJ) organic solar cells during operation is essential to achieve long-term stability and realize real-world applications of organic photovoltaics. Herein, the degradation of printed organic solar cells based on the conjugated benzodithiophene polymer PBDB-T-SF and the nonfullerene small molecule acceptor IT-4F with 0.25 vol% 1,8-diiodooctane (DIO) solvent additive is studied in operando for two different donor:acceptor ratios. The inner nano-morphology is analyzed with grazing incidence small angle X-ray scattering (GISAXS), and current–voltage (I–V) characteristics are probed simultaneously. Irrespective of the mixing ratio, degradation occurs by the same degradation mechanism. A decrease in the short-circuit current density (JSC) is identified to be the determining factor for the decline of the power conversion efficiency. The decrease in JSC is induced by a reduction of the relative interface area between the conjugated polymer and the small molecule acceptor in the BHJ structure, resembling the morphological degradation of the active layer. |
335. | Yang, Dan; Löhrer, Franziska C; Körstgens, Volker; Schreiber, Armin; Cao, Bing; Bernstorff, Sigrid; Müller-Buschbaum, Peter: In Operando GISAXS and GIWAXS Stability Study of Organic Solar Cells Based on PffBT4T-2OD:PC71BM with and without Solvent Additive. In: Advanced Science, 7 (16), pp. 2001117, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Yang2020a, title = {In Operando GISAXS and GIWAXS Stability Study of Organic Solar Cells Based on PffBT4T-2OD:PC71BM with and without Solvent Additive}, author = {Dan Yang and Franziska C Löhrer and Volker Körstgens and Armin Schreiber and Bing Cao and Sigrid Bernstorff and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/advs.202001117}, doi = {https://doi.org/10.1002/advs.202001117}, year = {2020}, date = {2020-01-01}, journal = {Advanced Science}, volume = {7}, number = {16}, pages = {2001117}, abstract = {Abstract Solvent additives are known to modify the morphology of bulk heterojunction active layers to achieve high efficiency organic solar cells. However, the knowledge about the influence of solvent additives on the morphology degradation is limited. Hence, in operando grazing-incidence small and wide angle X-ray scattering (GISAXS and GIWAXS) measurements are applied on a series of PffBT4T-2OD:PC71BM-based solar cells prepared without and with solvent additives. The solar cells fabricated without a solvent additive, with 1,8-diiodoctane (DIO), and with o-chlorobenzaldehyde (CBA) additive show differences in the device degradation and changes in the morphology and crystallinity of the active layers. The mesoscale morphology changes are correlated with the decay of the short-circuit current Jsc and the evolution of crystalline grain sizes is codependent with the decay of open-circuit voltage Voc. Without additive, the loss in Jsc dominates the degradation, whereas with solvent additive (DIO and CBA) the loss in Voc rules the degradation. CBA addition increases the overall device stability as compared to DIO or absence of additive.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract Solvent additives are known to modify the morphology of bulk heterojunction active layers to achieve high efficiency organic solar cells. However, the knowledge about the influence of solvent additives on the morphology degradation is limited. Hence, in operando grazing-incidence small and wide angle X-ray scattering (GISAXS and GIWAXS) measurements are applied on a series of PffBT4T-2OD:PC71BM-based solar cells prepared without and with solvent additives. The solar cells fabricated without a solvent additive, with 1,8-diiodoctane (DIO), and with o-chlorobenzaldehyde (CBA) additive show differences in the device degradation and changes in the morphology and crystallinity of the active layers. The mesoscale morphology changes are correlated with the decay of the short-circuit current Jsc and the evolution of crystalline grain sizes is codependent with the decay of open-circuit voltage Voc. Without additive, the loss in Jsc dominates the degradation, whereas with solvent additive (DIO and CBA) the loss in Voc rules the degradation. CBA addition increases the overall device stability as compared to DIO or absence of additive. |
336. | Reb, Lennart K; Böhmer, Michael; Predeschly, Benjamin; Grott, Sebastian; Weindl, Christian L; Ivandekic, Goran I; Guo, Renjun; Dreißigacker, Christoph; Gernhäuser, Roman; Meyer, Andreas; Müller-Buschbaum, Peter: Perovskite and Organic Solar Cells on a Rocket Flight. In: Joule, 4 (9), pp. 1880 - 1892, 2020, ISSN: 2542-4351. (Type: Journal Article | Abstract | Links | BibTeX) @article{Reb2020, title = {Perovskite and Organic Solar Cells on a Rocket Flight}, author = {Lennart K Reb and Michael Böhmer and Benjamin Predeschly and Sebastian Grott and Christian L Weindl and Goran I Ivandekic and Renjun Guo and Christoph Dreißigacker and Roman Gernhäuser and Andreas Meyer and Peter Müller-Buschbaum}, url = {http://www.sciencedirect.com/science/article/pii/S2542435120303226}, doi = {https://doi.org/10.1016/j.joule.2020.07.004}, issn = {2542-4351}, year = {2020}, date = {2020-01-01}, journal = {Joule}, volume = {4}, number = {9}, pages = {1880 - 1892}, abstract = {Summary Perovskite and organic solar cells possess a revolutionary potential for space applications. The thin-film solar cells can be processed onto thin polymer foils that enable an exceptional specific power, i.e., obtainable electric power per mass, being superior to their inorganic counterparts. However, research toward space applications was mainly restricted to terrestrial conditions so far. Here, we report the launch of perovskite and organic solar cells of different architectures on a suborbital rocket flight. This is an in situ demonstration of their functionality and power generation under space conditions. We measured solar cell current-voltage characteristics in variable illumination states due to different rocket orientations during flight. Under strong solar irradiance, the solar cells perform efficiently, and they even produce power with weak diffuse light reflected from Earth’s surface. These results highlight both the suitability for near-Earth applications as well as the potential for deep-space missions for these innovative technologies.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Summary Perovskite and organic solar cells possess a revolutionary potential for space applications. The thin-film solar cells can be processed onto thin polymer foils that enable an exceptional specific power, i.e., obtainable electric power per mass, being superior to their inorganic counterparts. However, research toward space applications was mainly restricted to terrestrial conditions so far. Here, we report the launch of perovskite and organic solar cells of different architectures on a suborbital rocket flight. This is an in situ demonstration of their functionality and power generation under space conditions. We measured solar cell current-voltage characteristics in variable illumination states due to different rocket orientations during flight. Under strong solar irradiance, the solar cells perform efficiently, and they even produce power with weak diffuse light reflected from Earth’s surface. These results highlight both the suitability for near-Earth applications as well as the potential for deep-space missions for these innovative technologies. |
337. | Wienhold, Kerstin S; Körstgens, Volker; Grott, Sebastian; Jiang, Xinyu; Schwartzkopf, Matthias; Roth, Stephan V; Müller-Buschbaum, Peter: In Situ Printing: Insights into the Morphology Formation and Optical Property Evolution of Slot-Die-Coated Active Layers Containing Low Bandgap Polymer Donor and Nonfullerene Small Molecule Acceptor. In: Solar RRL, 4 (7), pp. 2000086, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Wienhold2020b, title = {In Situ Printing: Insights into the Morphology Formation and Optical Property Evolution of Slot-Die-Coated Active Layers Containing Low Bandgap Polymer Donor and Nonfullerene Small Molecule Acceptor}, author = {Kerstin S Wienhold and Volker Körstgens and Sebastian Grott and Xinyu Jiang and Matthias Schwartzkopf and Stephan V Roth and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/solr.202000086}, doi = {https://doi.org/10.1002/solr.202000086}, year = {2020}, date = {2020-01-01}, journal = {Solar RRL}, volume = {4}, number = {7}, pages = {2000086}, abstract = {Printing of active layers for high-efficiency organic solar cells with the slot-die coating technique can overcome the challenge of upscaling, which will be needed for organic photovoltaics on its way to marketability. The morphology of a bulk-heterojunction organic solar cell has a very high impact on its power conversion efficiency. Therefore, it is of particular importance to understand the mechanisms of structure formation during printing of active layers to enable further optimization of the solar cell performance and upscaling of the production process. Meniscus-guided slot-die coating of the blend of a low bandgap conjugated polymer donor with benzodithiophene units PBDB-T-SF and the nonfullerene small molecule acceptor IT-4F is studied in situ with optical microscopy, Ultraviolet–visible spectroscopy, and grazing incidence small angle X-ray scattering. The structure formation is followed from the liquid to the final dry film state. Thereby, five regimes of morphology formation are determined. The morphological evolution in the printed active layer is correlated to changing optical properties of the thin film. In the final dry film, polymer domains of several tens of nanometers are observed, which will be favorable for application in high-efficiency organic solar cells.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Printing of active layers for high-efficiency organic solar cells with the slot-die coating technique can overcome the challenge of upscaling, which will be needed for organic photovoltaics on its way to marketability. The morphology of a bulk-heterojunction organic solar cell has a very high impact on its power conversion efficiency. Therefore, it is of particular importance to understand the mechanisms of structure formation during printing of active layers to enable further optimization of the solar cell performance and upscaling of the production process. Meniscus-guided slot-die coating of the blend of a low bandgap conjugated polymer donor with benzodithiophene units PBDB-T-SF and the nonfullerene small molecule acceptor IT-4F is studied in situ with optical microscopy, Ultraviolet–visible spectroscopy, and grazing incidence small angle X-ray scattering. The structure formation is followed from the liquid to the final dry film state. Thereby, five regimes of morphology formation are determined. The morphological evolution in the printed active layer is correlated to changing optical properties of the thin film. In the final dry film, polymer domains of several tens of nanometers are observed, which will be favorable for application in high-efficiency organic solar cells. |
338. | Chen, Wei; Tang, Haodong; Li, Nian; Scheel, Manuel A; Xie, Yue; Li, Depeng; Körstgens, Volker; Schwartzkopf, Matthias; Roth, Stephan V; Wang, Kai; Sun, Xiao Wei; Müller-Buschbaum, Peter: Colloidal PbS quantum dot stacking kinetics during deposition via printing. In: Nanoscale Horiz., 5 , pp. 880-885, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Chen2020b, title = {Colloidal PbS quantum dot stacking kinetics during deposition via printing}, author = {Wei Chen and Haodong Tang and Nian Li and Manuel A Scheel and Yue Xie and Depeng Li and Volker Körstgens and Matthias Schwartzkopf and Stephan V Roth and Kai Wang and Xiao Wei Sun and Peter Müller-Buschbaum}, url = {http://dx.doi.org/10.1039/D0NH00008F}, doi = {10.1039/D0NH00008F}, year = {2020}, date = {2020-01-01}, journal = {Nanoscale Horiz.}, volume = {5}, pages = {880-885}, publisher = {The Royal Society of Chemistry}, abstract = {Colloidal PbS quantum dots (QDs) are attractive for solution-processed thin-film optoelectronic applications. In particular, directly achieving QD thin-films by printing is a very promising method for low-cost and large-scale fabrication. The kinetics of QD particles during the deposition process play an important role in the QD film quality and their respective optoelectronic performance. In this work, the particle self-organization behavior of small-sized QDs with an average diameter of 2.88 ± 0.36 nm is investigated for the first time in situ during printing by grazing-incidence small-angle X-ray scattering (GISAXS). The time-dependent changes in peak intensities suggest that the structure formation and phase transition of QD films happen within 30 seconds. The stacking of QDs is initialized by a templating effect, and a face-centered cubic (FCC) film forms in which a superlattice distortion is also found. A body-centered cubic nested FCC stacking is the final QD assembly layout. The small size of the inorganic QDs and the ligand collapse during the solvent evaporation can well explain this stacking behavior. These results provide important fundamental understanding of structure formation of small-sized QD based films prepared via large-scale deposition with printing with a slot die coater.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Colloidal PbS quantum dots (QDs) are attractive for solution-processed thin-film optoelectronic applications. In particular, directly achieving QD thin-films by printing is a very promising method for low-cost and large-scale fabrication. The kinetics of QD particles during the deposition process play an important role in the QD film quality and their respective optoelectronic performance. In this work, the particle self-organization behavior of small-sized QDs with an average diameter of 2.88 ± 0.36 nm is investigated for the first time in situ during printing by grazing-incidence small-angle X-ray scattering (GISAXS). The time-dependent changes in peak intensities suggest that the structure formation and phase transition of QD films happen within 30 seconds. The stacking of QDs is initialized by a templating effect, and a face-centered cubic (FCC) film forms in which a superlattice distortion is also found. A body-centered cubic nested FCC stacking is the final QD assembly layout. The small size of the inorganic QDs and the ligand collapse during the solvent evaporation can well explain this stacking behavior. These results provide important fundamental understanding of structure formation of small-sized QD based films prepared via large-scale deposition with printing with a slot die coater. |
339. | Yin, Shanshan; Song, Lin; Xia, Senlin; Cheng, Yajun; Hohn, Nuri; Chen, Wei; Wang, Kun; Cao, Wei; Hou, Shujin; Müller-Buschbaum, Peter: Key Factors for Template-Oriented Porous Titania Synthesis: Solvents and Catalysts. In: Small Methods, 4 (3), pp. 1900689, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Yin2020a, title = {Key Factors for Template-Oriented Porous Titania Synthesis: Solvents and Catalysts}, author = {Shanshan Yin and Lin Song and Senlin Xia and Yajun Cheng and Nuri Hohn and Wei Chen and Kun Wang and Wei Cao and Shujin Hou and Peter Müller-Buschbaum}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/smtd.201900689}, doi = {https://doi.org/10.1002/smtd.201900689}, year = {2020}, date = {2020-01-01}, journal = {Small Methods}, volume = {4}, number = {3}, pages = {1900689}, abstract = {Abstract Various types of titania nanostructures are synthesized with a polymer-templated sol–gel method based on the amphiphilic diblock copolymer polystyrene-b-polyethylene oxide (PS-b-PEO) in combination with selective incorporation of the titania precursor titanium tetraisopropoxide. Custom tailoring of different types of titania morphologies is realized by changing the phase separation behavior of the PS-b-PEO template. Particularly, application of solvents from different categories is found to have a major impact upon the phase separation behavior of PS-b-PEO and the final titania film morphology. The amount of available hydrochloric acid catalyst during the gelation process is seen as an additional key factor to induce controllable morphological changes. Scanning electron microscopy and grazing incidence small angle X-ray scattering measurements are carried out to study the surface and inner structure of porous titania films. Systematic analysis and comparison of different characterization results allow attributing the following three factors to the respectively formed titania nanostructure: the surface energy between PS blocks and surrounding solvent, the aggregation behavior of the titania nanoparticles, and the block-specific selectivity of the used solvent. For all synthesized titania thin films, an anatase-type crystallization is confirmed through X-ray powder diffraction.}, keywords = {}, pubstate = {published}, tppubtype = {article} } Abstract Various types of titania nanostructures are synthesized with a polymer-templated sol–gel method based on the amphiphilic diblock copolymer polystyrene-b-polyethylene oxide (PS-b-PEO) in combination with selective incorporation of the titania precursor titanium tetraisopropoxide. Custom tailoring of different types of titania morphologies is realized by changing the phase separation behavior of the PS-b-PEO template. Particularly, application of solvents from different categories is found to have a major impact upon the phase separation behavior of PS-b-PEO and the final titania film morphology. The amount of available hydrochloric acid catalyst during the gelation process is seen as an additional key factor to induce controllable morphological changes. Scanning electron microscopy and grazing incidence small angle X-ray scattering measurements are carried out to study the surface and inner structure of porous titania films. Systematic analysis and comparison of different characterization results allow attributing the following three factors to the respectively formed titania nanostructure: the surface energy between PS blocks and surrounding solvent, the aggregation behavior of the titania nanoparticles, and the block-specific selectivity of the used solvent. For all synthesized titania thin films, an anatase-type crystallization is confirmed through X-ray powder diffraction. |
340. | Li, Nian; Song, Lin; Hohn, Nuri; Saxena, Nitin; Cao, Wei; Jiang, Xinyu; Müller-Buschbaum, Peter: Nanoscale crystallization of a low band gap polymer in printed titania mesopores. In: Nanoscale, 12 , pp. 4085-4093, 2020. (Type: Journal Article | Abstract | Links | BibTeX) @article{Li2020, title = {Nanoscale crystallization of a low band gap polymer in printed titania mesopores}, author = {Nian Li and Lin Song and Nuri Hohn and Nitin Saxena and Wei Cao and Xinyu Jiang and Peter Müller-Buschbaum}, url = {http://dx.doi.org/10.1039/C9NR08055D}, doi = {10.1039/C9NR08055D}, year = {2020}, date = {2020-01-01}, journal = {Nanoscale}, volume = {12}, pages = {4085-4093}, publisher = {The Royal Society of Chemistry}, abstract = {The crystallization behavior of the low band gap polymer 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) induced in printed mesoporous titania films with different pore sizes is studied to optimize the crystal orientation for an application in hybrid solar cells. The correlation between the crystal structure of PffBT4T-2OD and the titania pore size is investigated with a combination of grazing incidence wide-angle X-ray scattering (GIWAXS) and grazing incidence small-angle X-ray scattering (GISAXS). For comparison, poly(3-hexylthiophene) (P3HT) is also backfilled into the same four types of printed titania mesoporous scaffolds. Both, lattice constants and crystal sizes of edge-on oriented P3HT crystals decrease with increasing the titania pore size. Similarly and irrespective of the crystal orientation, a denser stacking of PffBT4T-2OD chains is found for larger pore sizes of the titania matrix. For an edge-on orientation, also bigger PffBT4T-2OD crystals are favorably formed in smaller pores, whereas for a face-on orientation, PffBT4T-2OD crystals increase with increasing size of the titania pores. Thus, the best ratio of face-on to edge-on crystals for PffBT4T-2OD is obtained through infiltration into large titania pores.}, keywords = {}, pubstate = {published}, tppubtype = {article} } The crystallization behavior of the low band gap polymer 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) induced in printed mesoporous titania films with different pore sizes is studied to optimize the crystal orientation for an application in hybrid solar cells. The correlation between the crystal structure of PffBT4T-2OD and the titania pore size is investigated with a combination of grazing incidence wide-angle X-ray scattering (GIWAXS) and grazing incidence small-angle X-ray scattering (GISAXS). For comparison, poly(3-hexylthiophene) (P3HT) is also backfilled into the same four types of printed titania mesoporous scaffolds. Both, lattice constants and crystal sizes of edge-on oriented P3HT crystals decrease with increasing the titania pore size. Similarly and irrespective of the crystal orientation, a denser stacking of PffBT4T-2OD chains is found for larger pore sizes of the titania matrix. For an edge-on orientation, also bigger PffBT4T-2OD crystals are favorably formed in smaller pores, whereas for a face-on orientation, PffBT4T-2OD crystals increase with increasing size of the titania pores. Thus, the best ratio of face-on to edge-on crystals for PffBT4T-2OD is obtained through infiltration into large titania pores. |
References (last update: Dec 16, 2019):
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Fischer, Christina; Klein, Wilhelm; Jantke, Laura-Alice; Schiegerl, Lorenz J; Faessler, Thomas F ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 642 (22), pp. 1314-1319, 2016, ISSN: 0044-2313. @article{ISI:000388273200015, title = {Reaction of SiCl2 center dot dipp with K[Ge-9Si(SiMe3)(3)(3)] - Synthesis and Characterization of [K(dipp)(2)][Ge-9Si(SiMe3)(3)(3)]center dot tol and [dipp-H][Ge-9Si(SiMe3)(3)(3)]center dot 2acn [dipp=1,3-Bis(2,6-Diisopropylphenyl)imidazol-2-ylidene]}, author = {Christina Fischer and Wilhelm Klein and Laura-Alice Jantke and Lorenz J Schiegerl and Thomas F Faessler}, doi = {10.1002/zaac.201600296}, issn = {0044-2313}, year = {2016}, date = {2016-11-01}, journal = {ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE}, volume = {642}, number = {22}, pages = {1314-1319}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Hetzl, Martin; Kraut, Max; Winnerl, Julia; Francaviglia, Luca; Doeblinger, Markus; Matich, Sonja; i Morral, Anna Fontcuberta; Stutzmann, Martin Strain-Induced Band Gap Engineering in Selectively Grown GaN-(Al,Ga)N Core-Shell Nanowire Heterostructures Journal Article NANO LETTERS, 16 (11), pp. 7098-7106, 2016, ISSN: 1530-6984. @article{ISI:000387625000056, title = {Strain-Induced Band Gap Engineering in Selectively Grown GaN-(Al,Ga)N Core-Shell Nanowire Heterostructures}, author = {Martin Hetzl and Max Kraut and Julia Winnerl and Luca Francaviglia and Markus Doeblinger and Sonja Matich and Anna Fontcuberta i Morral and Martin Stutzmann}, doi = {10.1021/acs.nanolett.6b03354}, issn = {1530-6984}, year = {2016}, date = {2016-11-01}, journal = {NANO LETTERS}, volume = {16}, number = {11}, pages = {7098-7106}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Hintermayr, Verena A; Richter, Alexander F; Ehrat, Florian; Doeblinger, Markus; Vanderlinden, Willem; Sichert, Jasmina A; Tong, Yu; Polavarapu, Lakshminarayana; Feldmann, Jochen; Urban, Alexander S Tuning the Optical Properties of Perovskite Nanoplatelets through Composition and Thickness by Ligand-Assisted Exfoliation Journal Article ADVANCED MATERIALS, 28 (43), pp. 9478+, 2016, ISSN: 0935-9648. @article{ISI:000391175000003c, title = {Tuning the Optical Properties of Perovskite Nanoplatelets through Composition and Thickness by Ligand-Assisted Exfoliation}, author = {Verena A Hintermayr and Alexander F Richter and Florian Ehrat and Markus Doeblinger and Willem Vanderlinden and Jasmina A Sichert and Yu Tong and Lakshminarayana Polavarapu and Jochen Feldmann and Alexander S Urban}, doi = {10.1002/adma.201602897}, issn = {0935-9648}, year = {2016}, date = {2016-11-01}, journal = {ADVANCED MATERIALS}, volume = {28}, number = {43}, pages = {9478+}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
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Dauth, M; Graus, M; Schelter, I; Wiessner, M; Schoell, A; Reinert, F; Kummel, S Perpendicular Emission, Dichroism, and Energy Dependence in Angle-Resolved Photoemission: The Importance of The Final State Journal Article PHYSICAL REVIEW LETTERS, 117 (18), 2016, ISSN: 0031-9007. @article{ISI:000390224200004, title = {Perpendicular Emission, Dichroism, and Energy Dependence in Angle-Resolved Photoemission: The Importance of The Final State}, author = {M Dauth and M Graus and I Schelter and M Wiessner and A Schoell and F Reinert and S Kummel}, doi = {10.1103/PhysRevLett.117.183001}, issn = {0031-9007}, year = {2016}, date = {2016-10-01}, journal = {PHYSICAL REVIEW LETTERS}, volume = {117}, number = {18}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Song, Lin; Abdelsamie, Amr; Schaffer, Christoph J; Koerstgens, Volker; Wang, Weijia; Wang, Tianyi; Indari, Efi Dwi; Froeschl, Thomas; Huesing, Nicola; Haeberle, Tobias; Lugli, Paolo; Bernstorff, Sigrid; Mueller-Buschbaum, Peter A Low Temperature Route toward Hierarchically Structured Titania Films for Thin Hybrid Solar Cells Journal Article ADVANCED FUNCTIONAL MATERIALS, 26 (39), pp. 7084-7093, 2016, ISSN: 1616-301X. @article{ISI:000387145300005, title = {A Low Temperature Route toward Hierarchically Structured Titania Films for Thin Hybrid Solar Cells}, author = {Lin Song and Amr Abdelsamie and Christoph J Schaffer and Volker Koerstgens and Weijia Wang and Tianyi Wang and Efi Dwi Indari and Thomas Froeschl and Nicola Huesing and Tobias Haeberle and Paolo Lugli and Sigrid Bernstorff and Peter Mueller-Buschbaum}, doi = {10.1002/adfm.201603867}, issn = {1616-301X}, year = {2016}, date = {2016-10-01}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {26}, number = {39}, pages = {7084-7093}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Schaub, Tobias A; Zolnhofer, Eva M; Halter, Dominik P; Shubina, Tatyana E; Hampel, Frank; Meyer, Karsten; Kivala, Milan A Stable Crystalline Triarylphosphine Oxide Radical Anion Journal Article ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55 (43), pp. 13597-13601, 2016, ISSN: 1433-7851. @article{ISI:000385718300044, title = {A Stable Crystalline Triarylphosphine Oxide Radical Anion}, author = {Tobias A Schaub and Eva M Zolnhofer and Dominik P Halter and Tatyana E Shubina and Frank Hampel and Karsten Meyer and Milan Kivala}, doi = {10.1002/anie.201605963}, issn = {1433-7851}, year = {2016}, date = {2016-10-01}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {55}, number = {43}, pages = {13597-13601}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Spoerler, Susanne; Mueller, Lisa; Waterloo, Andreas R; Tykwinski, Rik R; Burzlaff, Nicolai Carbon-rich dinuclear ruthenium bisallenylidene complexes Journal Article JOURNAL OF ORGANOMETALLIC CHEMISTRY, 821 (SI), pp. 122-129, 2016, ISSN: 0022-328X. @article{ISI:000387633400015, title = {Carbon-rich dinuclear ruthenium bisallenylidene complexes}, author = {Susanne Spoerler and Lisa Mueller and Andreas R Waterloo and Rik R Tykwinski and Nicolai Burzlaff}, doi = {10.1016/j.jorganchem.2016.06.017}, issn = {0022-328X}, year = {2016}, date = {2016-10-01}, journal = {JOURNAL OF ORGANOMETALLIC CHEMISTRY}, volume = {821}, number = {SI}, pages = {122-129}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Schaffer, Christoph J; Palumbiny, Claudia M; Niedermeier, Martin A; Burger, Christian; Santoro, Gonzalo; Roth, Stephan V; Mueller-Buschbaum, Peter Morphological Degradation in Low Bandgap Polymer Solar Cells - An In Operando Study Journal Article ADVANCED ENERGY MATERIALS, 6 (19), 2016, ISSN: 1614-6832. @article{ISI:000387134800006, title = {Morphological Degradation in Low Bandgap Polymer Solar Cells - An In Operando Study}, author = {Christoph J Schaffer and Claudia M Palumbiny and Martin A Niedermeier and Christian Burger and Gonzalo Santoro and Stephan V Roth and Peter Mueller-Buschbaum}, doi = {10.1002/aenm.201600712}, issn = {1614-6832}, year = {2016}, date = {2016-10-01}, journal = {ADVANCED ENERGY MATERIALS}, volume = {6}, number = {19}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Mueller, Christian J; Gann, Eliot; Singh, Chetan R; Thelakkat, Mukundan; McNeill, Christopher R Control of Molecular Orientation in Polydiketopyrrolopyrrole Copolymers via Diffusive Noncovalent Interactions Journal Article CHEMISTRY OF MATERIALS, 28 (19), pp. 7088-7097, 2016, ISSN: 0897-4756. @article{ISI:000385336500034, title = {Control of Molecular Orientation in Polydiketopyrrolopyrrole Copolymers via Diffusive Noncovalent Interactions}, author = {Christian J Mueller and Eliot Gann and Chetan R Singh and Mukundan Thelakkat and Christopher R McNeill}, doi = {10.1021/acs.chemmater.6b03245}, issn = {0897-4756}, year = {2016}, date = {2016-10-01}, journal = {CHEMISTRY OF MATERIALS}, volume = {28}, number = {19}, pages = {7088-7097}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Oesinghaus, Lukas; Schlipf, Johannes; Giesbrecht, Nadja; Song, Lin; Hu, Yinghong; Bein, Thomas; Docampo, Pablo; Muller-Buschbaum, Peter Toward Tailored Film Morphologies: The Origin of Crystal Orientation in Hybrid Perovskite Thin Films Journal Article ADVANCED MATERIALS INTERFACES, 3 (19), 2016, ISSN: 2196-7350. @article{ISI:000386058100016, title = {Toward Tailored Film Morphologies: The Origin of Crystal Orientation in Hybrid Perovskite Thin Films}, author = {Lukas Oesinghaus and Johannes Schlipf and Nadja Giesbrecht and Lin Song and Yinghong Hu and Thomas Bein and Pablo Docampo and Peter Muller-Buschbaum}, doi = {10.1002/admi.201600403}, issn = {2196-7350}, year = {2016}, date = {2016-10-01}, journal = {ADVANCED MATERIALS INTERFACES}, volume = {3}, number = {19}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Schober, Christoph; Reuter, Karsten; Oberhofer, Harald Virtual Screening for High Carrier Mobility in Organic Semiconductors Journal Article JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7 (19), pp. 3973-3977, 2016, ISSN: 1948-7185. @article{ISI:000384966500043, title = {Virtual Screening for High Carrier Mobility in Organic Semiconductors}, author = {Christoph Schober and Karsten Reuter and Harald Oberhofer}, doi = {10.1021/acs.jpclett.6b01657}, issn = {1948-7185}, year = {2016}, date = {2016-10-01}, journal = {JOURNAL OF PHYSICAL CHEMISTRY LETTERS}, volume = {7}, number = {19}, pages = {3973-3977}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Sahu, Sumit; Zhang, Bo; Pollock, Christopher J; Duerr, Maximilian; Davies, Casey G; Confer, Alex M; Ivanovic-Burmazovic, Ivana; Siegler, Maxime A; Jameson, Guy N L; Krebs, Carsten; Goldberg, David P Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations Journal Article JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 138 (39), pp. 12791-12802, 2016, ISSN: 0002-7863. @article{ISI:000384952100021, title = {Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations}, author = {Sumit Sahu and Bo Zhang and Christopher J Pollock and Maximilian Duerr and Casey G Davies and Alex M Confer and Ivana Ivanovic-Burmazovic and Maxime A Siegler and Guy N L Jameson and Carsten Krebs and David P Goldberg}, doi = {10.1021/jacs.6b03346}, issn = {0002-7863}, year = {2016}, date = {2016-10-01}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {138}, number = {39}, pages = {12791-12802}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Fernandez-Ariza, Javier; Calderon, Rafael Krick M; Rodriguez-Morgade, Salome M; Guldi, Dirk M; Torres, Tomas Phthalocyanine-Perylenediimide Cart Wheels Journal Article JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 138 (39), pp. 12963-12974, 2016, ISSN: 0002-7863. @article{ISI:000384952100040, title = {Phthalocyanine-Perylenediimide Cart Wheels}, author = {Javier Fernandez-Ariza and Rafael Krick M Calderon and Salome M Rodriguez-Morgade and Dirk M Guldi and Tomas Torres}, doi = {10.1021/jacs.6b07432}, issn = {0002-7863}, year = {2016}, date = {2016-10-01}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {138}, number = {39}, pages = {12963-12974}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Peters, Kristina; Lokupitiya, Hasala N; Sarauli, David; Labs, Mathias; Pribil, Mathias; Rathousky, Jiri; Kuhn, Alexander; Leister, Dario; Stefik, Morgan; Fattakhova-Rohlfing, Dina Nanostructured Antimony-Doped Tin Oxide Layers with Tunable Pore Architectures as Versatile Transparent Current Collectors for Biophotovoltaics Journal Article ADVANCED FUNCTIONAL MATERIALS, 26 (37), pp. 6682-6692, 2016, ISSN: 1616-301X. @article{ISI:000384810300008, title = {Nanostructured Antimony-Doped Tin Oxide Layers with Tunable Pore Architectures as Versatile Transparent Current Collectors for Biophotovoltaics}, author = {Kristina Peters and Hasala N Lokupitiya and David Sarauli and Mathias Labs and Mathias Pribil and Jiri Rathousky and Alexander Kuhn and Dario Leister and Morgan Stefik and Dina Fattakhova-Rohlfing}, doi = {10.1002/adfm.201602148}, issn = {1616-301X}, year = {2016}, date = {2016-10-01}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {26}, number = {37}, pages = {6682-6692}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Caruso, Fabio; Dauth, Matthias; van Setten, Michiel J; Rinke, Patrick Benchmark of GW Approaches for the GW100 Test Set Journal Article JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (10), pp. 5076-5087, 2016, ISSN: 1549-9618. @article{ISI:000385336300033, title = {Benchmark of GW Approaches for the GW100 Test Set}, author = {Fabio Caruso and Matthias Dauth and Michiel J van Setten and Patrick Rinke}, doi = {10.1021/acs.jctc.6b00774}, issn = {1549-9618}, year = {2016}, date = {2016-10-01}, journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, volume = {12}, number = {10}, pages = {5076-5087}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Min, Jie; Jiao, Xuechen; Sgobba, Vito; Kan, Bin; Heumueller, Thomas; Rechberger, Stefanie; Spiecker, Erdmann; Guldi, Dirkm M; Wan, Xiangjian; Chen, Yongsheng; Ade, Harald; Brabec, Christoph J High efficiency and stability small molecule solar cells developed by bulk microstructure fine-tuning Journal Article NANO ENERGY, 28 , pp. 241-249, 2016, ISSN: 2211-2855. @article{ISI:000384911600028, title = {High efficiency and stability small molecule solar cells developed by bulk microstructure fine-tuning}, author = {Jie Min and Xuechen Jiao and Vito Sgobba and Bin Kan and Thomas Heumueller and Stefanie Rechberger and Erdmann Spiecker and Dirkm M Guldi and Xiangjian Wan and Yongsheng Chen and Harald Ade and Christoph J Brabec}, doi = {10.1016/j.nanoen.2016.08.047}, issn = {2211-2855}, year = {2016}, date = {2016-10-01}, journal = {NANO ENERGY}, volume = {28}, pages = {241-249}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Tong, Yu; Bladt, Eva; Aygueler, Meltem F; Manzi, Aurora; Milowska, Karolina Z; Hintermayr, Verena A; Docampo, Pablo; Bals, Sara; Urban, Alexander S; Polavarapu, Lakshminarayana; Feldmann, Jochen Highly Luminescent Cesium Lead Halide Perovskite Nanocrystals with Tunable Composition and Thickness by Ultrasonication Journal Article ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55 (44), pp. 13887-13892, 2016, ISSN: 1433-7851. @article{ISI:000387024200040c, title = {Highly Luminescent Cesium Lead Halide Perovskite Nanocrystals with Tunable Composition and Thickness by Ultrasonication}, author = {Yu Tong and Eva Bladt and Meltem F Aygueler and Aurora Manzi and Karolina Z Milowska and Verena A Hintermayr and Pablo Docampo and Sara Bals and Alexander S Urban and Lakshminarayana Polavarapu and Jochen Feldmann}, doi = {10.1002/anie.201605909}, issn = {1433-7851}, year = {2016}, date = {2016-10-01}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {55}, number = {44}, pages = {13887-13892}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Petrus, Michiel L; Hu, Yinghong; Moia, Davide; Calado, Philip; Leguy, Aurelien M A; Barnes, Piers R F; Docampo, Pablo The Influence of Water Vapor on the Stability and Processing of Hybrid Perovskite Solar Cells Made from Non-Stoichiometric Precursor Mixtures Journal Article CHEMSUSCHEM, 9 (18, SI), pp. 2699-2707, 2016, ISSN: 1864-5631. @article{ISI:000384682300025, title = {The Influence of Water Vapor on the Stability and Processing of Hybrid Perovskite Solar Cells Made from Non-Stoichiometric Precursor Mixtures}, author = {Michiel L Petrus and Yinghong Hu and Davide Moia and Philip Calado and Aurelien M A Leguy and Piers R F Barnes and Pablo Docampo}, doi = {10.1002/cssc.201600999}, issn = {1864-5631}, year = {2016}, date = {2016-09-01}, journal = {CHEMSUSCHEM}, volume = {9}, number = {18, SI}, pages = {2699-2707}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Chen, Shi; Hou, Yi; Chen, Haiwei; Richter, Moses; Guo, Fei; Kahmann, Simon; Tang, Xiaofeng; Stubhan, Tobias; Zhang, Hong; Li, Ning; Gasparini, Nicola; Quiroz, Cesar Omar Ramirez; Khanzada, Laraib S; Matt, Gebhard J; Osvet, Andres; Brabec, Christoph J Exploring the Limiting Open-Circuit Voltage and the Voltage Loss Mechanism in Planar CH3NH3PbBr3 Perovskite Solar Cells Journal Article ADVANCED ENERGY MATERIALS, 6 (18), 2016, ISSN: 1614-6832. @article{ISI:000387132200001, title = {Exploring the Limiting Open-Circuit Voltage and the Voltage Loss Mechanism in Planar CH3NH3PbBr3 Perovskite Solar Cells}, author = {Shi Chen and Yi Hou and Haiwei Chen and Moses Richter and Fei Guo and Simon Kahmann and Xiaofeng Tang and Tobias Stubhan and Hong Zhang and Ning Li and Nicola Gasparini and Cesar Omar Ramirez Quiroz and Laraib S Khanzada and Gebhard J Matt and Andres Osvet and Christoph J Brabec}, doi = {10.1002/aenm.201600132}, issn = {1614-6832}, year = {2016}, date = {2016-09-01}, journal = {ADVANCED ENERGY MATERIALS}, volume = {6}, number = {18}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Hornich, Julian; Pflaum, Christoph; Brabec, Christoph; Forberich, Karen Numerical study of plasmonic absorption enhancement in semiconductor absorbers by metallic nanoparticles Journal Article JOURNAL OF APPLIED PHYSICS, 120 (11), 2016, ISSN: 0021-8979. @article{ISI:000384573200002, title = {Numerical study of plasmonic absorption enhancement in semiconductor absorbers by metallic nanoparticles}, author = {Julian Hornich and Christoph Pflaum and Christoph Brabec and Karen Forberich}, doi = {10.1063/1.4962459}, issn = {0021-8979}, year = {2016}, date = {2016-09-01}, journal = {JOURNAL OF APPLIED PHYSICS}, volume = {120}, number = {11}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Schulze, Marcus; Philipp, Michael; Waigel, Waldemar; Schmidt, David; Wuerthner, Frank Library of Azabenz-Annulated Core-Extended Perylene Derivatives with Diverse Substitution Patterns and Tunable Electronic and Optical Properties Journal Article JOURNAL OF ORGANIC CHEMISTRY, 81 (18), pp. 8394-8405, 2016, ISSN: 0022-3263. @article{ISI:000383639500029, title = {Library of Azabenz-Annulated Core-Extended Perylene Derivatives with Diverse Substitution Patterns and Tunable Electronic and Optical Properties}, author = {Marcus Schulze and Michael Philipp and Waldemar Waigel and David Schmidt and Frank Wuerthner}, doi = {10.1021/acs.joc.6b01573}, issn = {0022-3263}, year = {2016}, date = {2016-09-01}, journal = {JOURNAL OF ORGANIC CHEMISTRY}, volume = {81}, number = {18}, pages = {8394-8405}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Nian, Li; Chen, Zhenhui; Herbst, Stefanie; Li, Qingyuan; Yu, Chengzhuo; Jiang, Xiaofang; Dong, Huanli; Li, Fenghong; Liu, Linlin; Wuerthner, Frank; Chen, Junwu; Xie, Zengqi; Ma, Yuguang ADVANCED MATERIALS, 28 (34), pp. 7521-7526, 2016, ISSN: 0935-9648. @article{ISI:000383778700024, title = {Aqueous Solution Processed Photoconductive Cathode Interlayer for High Performance Polymer Solar Cells with Thick Interlayer and Thick Active Layer}, author = {Li Nian and Zhenhui Chen and Stefanie Herbst and Qingyuan Li and Chengzhuo Yu and Xiaofang Jiang and Huanli Dong and Fenghong Li and Linlin Liu and Frank Wuerthner and Junwu Chen and Zengqi Xie and Yuguang Ma}, doi = {10.1002/adma.201601615}, issn = {0935-9648}, year = {2016}, date = {2016-09-01}, journal = {ADVANCED MATERIALS}, volume = {28}, number = {34}, pages = {7521-7526}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Jakowetz, Andreas C; Bohm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends Journal Article JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 138 (36), pp. 11672-11679, 2016, ISSN: 0002-7863. @article{ISI:000383410700040, title = {What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends}, author = {Andreas C Jakowetz and Marcus L Bohm and Jiangbin Zhang and Aditya Sadhanala and Sven Huettner and Artem A Bakulin and Akshay Rao and Richard H Friend}, doi = {10.1021/jacs.6b05131}, issn = {0002-7863}, year = {2016}, date = {2016-09-01}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {138}, number = {36}, pages = {11672-11679}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Reichenberger, Markus; Baderschneider, Sebastian; Kroh, Daniel; Grauf, Steffen; Koehler, Juergen; Hildner, Richard; Koehler, Anna Watching Paint Dry: The Impact of Diiodooctane on the Kinetics of Aggregate Formation in Thin Films of Poly(3-hexylthiophene) Journal Article MACROMOLECULES, 49 (17), pp. 6420-6430, 2016, ISSN: 0024-9297. @article{ISI:000383318300029, title = {Watching Paint Dry: The Impact of Diiodooctane on the Kinetics of Aggregate Formation in Thin Films of Poly(3-hexylthiophene)}, author = {Markus Reichenberger and Sebastian Baderschneider and Daniel Kroh and Steffen Grauf and Juergen Koehler and Richard Hildner and Anna Koehler}, doi = {10.1021/acs.macromol.6b01257}, issn = {0024-9297}, year = {2016}, date = {2016-09-01}, journal = {MACROMOLECULES}, volume = {49}, number = {17}, pages = {6420-6430}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Niesner, Daniel; Wilhelm, Max; Levchuk, Ievgen; Osvet, Andres; Shrestha, Shreetu; Batentschuk, Miroslaw; Brabec, Christoph; Fauster, Thomas Giant Rashba Splitting in CH3NH3PbBr3 Organic-Inorganic Perovskite Journal Article PHYSICAL REVIEW LETTERS, 117 (12), 2016, ISSN: 0031-9007. @article{ISI:000383171800008, title = {Giant Rashba Splitting in CH3NH3PbBr3 Organic-Inorganic Perovskite}, author = {Daniel Niesner and Max Wilhelm and Ievgen Levchuk and Andres Osvet and Shreetu Shrestha and Miroslaw Batentschuk and Christoph Brabec and Thomas Fauster}, doi = {10.1103/PhysRevLett.117.126401}, issn = {0031-9007}, year = {2016}, date = {2016-09-01}, journal = {PHYSICAL REVIEW LETTERS}, volume = {117}, number = {12}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Singh, C R; Honold, T; Gujar, T P; Retsch, M; Fery, A; Karg, M; Thelakkat, M The role of colloidal plasmonic nanostructures in organic solar cells Journal Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18 (33), pp. 23155-23163, 2016, ISSN: 1463-9076. @article{ISI:000382109300042, title = {The role of colloidal plasmonic nanostructures in organic solar cells}, author = {C R Singh and T Honold and T P Gujar and M Retsch and A Fery and M Karg and M Thelakkat}, doi = {10.1039/c6cp04451d}, issn = {1463-9076}, year = {2016}, date = {2016-09-01}, journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, volume = {18}, number = {33}, pages = {23155-23163}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Li, Sin Ting; Braun-Cula, Beatrice; Hoof, Santina; Duerr, Maximilian; Ivanovic-Burmazovic, Ivana; Limberg, Christian Ligands with Two Different Binding Sites and O-2 Reactivity of their Copper(I) Complexes Journal Article EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, (25), pp. 4017-4027, 2016, ISSN: 1434-1948. @article{ISI:000386162900005, title = {Ligands with Two Different Binding Sites and O-2 Reactivity of their Copper(I) Complexes}, author = {Sin Ting Li and Beatrice Braun-Cula and Santina Hoof and Maximilian Duerr and Ivana Ivanovic-Burmazovic and Christian Limberg}, doi = {10.1002/ejic.201600420}, issn = {1434-1948}, year = {2016}, date = {2016-09-01}, journal = {EUROPEAN JOURNAL OF INORGANIC CHEMISTRY}, number = {25}, pages = {4017-4027}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Lederer, Marcus; Ince, Mine; Martinez-Diaz, Victoria M; Torres, Tomas; Guldi, Dirk M Photoinduced Electron Transfer in a Zinc Phthalocyanine-Fullerene Conjugate Connected by a Long Flexible Spacer Journal Article CHEMPLUSCHEM, 81 (9), pp. 941-946, 2016, ISSN: 2192-6506. @article{ISI:000383686600008, title = {Photoinduced Electron Transfer in a Zinc Phthalocyanine-Fullerene Conjugate Connected by a Long Flexible Spacer}, author = {Marcus Lederer and Mine Ince and Victoria M Martinez-Diaz and Tomas Torres and Dirk M Guldi}, doi = {10.1002/cplu.201600197}, issn = {2192-6506}, year = {2016}, date = {2016-09-01}, journal = {CHEMPLUSCHEM}, volume = {81}, number = {9}, pages = {941-946}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Rahman, Md Mostafizur; Younus, Muhammad; Naher, Masnun; Masud, Mostafa Kamal; Nomoto, Akihiro; Ogawa, Akiya; Rudnick, Alexander; Koehler, Anna JOURNAL OF ORGANOMETALLIC CHEMISTRY, 818 , pp. 185-194, 2016, ISSN: 0022-328X. @article{ISI:000380751600025, title = {Synthesis, spectroscopic characterization, thermal and luminescent properties of new organosulfur-functionalized platinum(II) bis(alkenylarylalkynyl) complexes}, author = {Md Mostafizur Rahman and Muhammad Younus and Masnun Naher and Mostafa Kamal Masud and Akihiro Nomoto and Akiya Ogawa and Alexander Rudnick and Anna Koehler}, doi = {10.1016/j.jorganchem.2016.06.006}, issn = {0022-328X}, year = {2016}, date = {2016-09-01}, journal = {JOURNAL OF ORGANOMETALLIC CHEMISTRY}, volume = {818}, pages = {185-194}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Bartynski, Andrew N; Grob, Stefan; Linderl, Theresa; Gruber, Mark; Bruetting, Wolfgang; Thompson, Mark E Organic Solar Cells with Open Circuit Voltage over 1.25 V Employing Tetraphenyldibenzoperiflanthene as the Acceptor Journal Article JOURNAL OF PHYSICAL CHEMISTRY C, 120 (34), pp. 19027-19034, 2016, ISSN: 1932-7447. @article{ISI:000382596900010c, title = {Organic Solar Cells with Open Circuit Voltage over 1.25 V Employing Tetraphenyldibenzoperiflanthene as the Acceptor}, author = {Andrew N Bartynski and Stefan Grob and Theresa Linderl and Mark Gruber and Wolfgang Bruetting and Mark E Thompson}, doi = {10.1021/acs.jpcc.6b06302}, issn = {1932-7447}, year = {2016}, date = {2016-09-01}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {120}, number = {34}, pages = {19027-19034}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Li, Cheng; Zhong, Yu; Luna, Carlos Andres Melo; Unger, Thomas; Deichsel, Konstantin; Graeser, Anna; Koehler, Juergen; Koehler, Anna; Hildner, Richard; Huettner, Sven Emission Enhancement and Intermittency in Polycrystalline Organolead Halide Perovskite Films Journal Article MOLECULES, 21 (8), 2016, ISSN: 1420-3049. @article{ISI:000382334600120b, title = {Emission Enhancement and Intermittency in Polycrystalline Organolead Halide Perovskite Films}, author = {Cheng Li and Yu Zhong and Carlos Andres Melo Luna and Thomas Unger and Konstantin Deichsel and Anna Graeser and Juergen Koehler and Anna Koehler and Richard Hildner and Sven Huettner}, doi = {10.3390/molecules21081081}, issn = {1420-3049}, year = {2016}, date = {2016-08-01}, journal = {MOLECULES}, volume = {21}, number = {8}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Reilly, Anthony M; Cooper, Richard I; Adjiman, Claire S; Bhattacharya, Saswata; Boese, Daniel A; Brandenburg, Jan Gerit; Bygrave, Peter J; Bylsma, Rita; Campbell, Josh E; Car, Roberto; Case, David H; Chadha, Renu; Cole, Jason C; Cosburn, Katherine; Cuppen, Herma M; Curtis, Farren; Day, Graeme M; DiStasio, Robert A; Dzyabchenko, Alexander; van Eijck, Bouke P; Elking, Dennis M; van den Ende, Joost A; Facelli, Julio C; Ferraro, Marta B; Fusti-Molnar, Laszlo; Gatsiou, Christina-Anna; Gee, Thomas S; de Gelder, Rene; Ghiringhelli, Luca M; Goto, Hitoshi; Grimme, Stefan; Guo, Rui; Hofmann, Detlef W M; Hoja, Johannes; Hylton, Rebecca K; Iuzzolino, Luca; Jankiewicz, Wojciech; de Jong, Daniel T; Kendrick, John; de Klerk, Niek J J; Ko, Hsin-Yu; Kuleshova, Liudmila N; Li, Xiayue; Lohani, Sanjaya; Leusen, Frank J J; Lund, Albert M; Lv, Jian; Ma, Yanming; Marom, Noa; Masunov, Artem E; McCabe, Patrick; McMahon, David P; Meekes, Hugo; Metz, Michael P; Misquitta, Alston J; Mohamed, Sharmarke; Monserrat, Bartomeu; Needs, Richard J; Neumann, Marcus A; Nyman, Jonas; Obata, Shigeaki; Oberhofer, Harald; Oganov, Artem R; Orendt, Anita M; Pagola, Gabriel I; Pantelides, Constantinos C; Pickard, Chris J; Podeszwa, Rafal; Price, Louise S; Price, Sarah L; Pulido, Angeles; Read, Murray G; Reuter, Karsten; Schneider, Elia; Schober, Christoph; Shields, Gregory P; Singh, Pawanpreet; Sugden, Isaac J; Szalewicz, Krzysztof; Taylor, Christopher R; Tkatchenko, Alexandre; Tuckerman, Mark E; Vacarro, Francesca; Vasileiadis, Manolis; Vazquez-Mayagoitia, Alvaro; Vogt, Leslie; Wang, Yanchao; Watson, Rona E; de Wijs, Gilles A; Yang, Jack; Zhu, Qiang; Groom, Colin R Report on the sixth blind test of organic crystal structure prediction methods Journal Article ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 72 (4, SI), pp. 439-459, 2016, ISSN: 2052-5206. @article{ISI:000380772000003b, title = {Report on the sixth blind test of organic crystal structure prediction methods}, author = {Anthony M Reilly and Richard I Cooper and Claire S Adjiman and Saswata Bhattacharya and Daniel A Boese and Jan Gerit Brandenburg and Peter J Bygrave and Rita Bylsma and Josh E Campbell and Roberto Car and David H Case and Renu Chadha and Jason C Cole and Katherine Cosburn and Herma M Cuppen and Farren Curtis and Graeme M Day and Robert A DiStasio and Alexander Dzyabchenko and Bouke P van Eijck and Dennis M Elking and Joost A van den Ende and Julio C Facelli and Marta B Ferraro and Laszlo Fusti-Molnar and Christina-Anna Gatsiou and Thomas S Gee and Rene de Gelder and Luca M Ghiringhelli and Hitoshi Goto and Stefan Grimme and Rui Guo and Detlef W M Hofmann and Johannes Hoja and Rebecca K Hylton and Luca Iuzzolino and Wojciech Jankiewicz and Daniel T de Jong and John Kendrick and Niek J J de Klerk and Hsin-Yu Ko and Liudmila N Kuleshova and Xiayue Li and Sanjaya Lohani and Frank J J Leusen and Albert M Lund and Jian Lv and Yanming Ma and Noa Marom and Artem E Masunov and Patrick McCabe and David P McMahon and Hugo Meekes and Michael P Metz and Alston J Misquitta and Sharmarke Mohamed and Bartomeu Monserrat and Richard J Needs and Marcus A Neumann and Jonas Nyman and Shigeaki Obata and Harald Oberhofer and Artem R Oganov and Anita M Orendt and Gabriel I Pagola and Constantinos C Pantelides and Chris J Pickard and Rafal Podeszwa and Louise S Price and Sarah L Price and Angeles Pulido and Murray G Read and Karsten Reuter and Elia Schneider and Christoph Schober and Gregory P Shields and Pawanpreet Singh and Isaac J Sugden and Krzysztof Szalewicz and Christopher R Taylor and Alexandre Tkatchenko and Mark E Tuckerman and Francesca Vacarro and Manolis Vasileiadis and Alvaro Vazquez-Mayagoitia and Leslie Vogt and Yanchao Wang and Rona E Watson and Gilles A de Wijs and Jack Yang and Qiang Zhu and Colin R Groom}, doi = {10.1107/S2052520616007447}, issn = {2052-5206}, year = {2016}, date = {2016-08-01}, journal = {ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS}, volume = {72}, number = {4, SI}, pages = {439-459}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Loehner, Alexander; Ashraf, Khuram; Cogdell, Richard J; Koehler, Juergen Fluorescence-excitation and Emission Spectroscopy on Single FMO Complexes Journal Article SCIENTIFIC REPORTS, 6 , 2016, ISSN: 2045-2322. @article{ISI:000392127300001, title = {Fluorescence-excitation and Emission Spectroscopy on Single FMO Complexes}, author = {Alexander Loehner and Khuram Ashraf and Richard J Cogdell and Juergen Koehler}, doi = {10.1038/srep31875}, issn = {2045-2322}, year = {2016}, date = {2016-08-01}, journal = {SCIENTIFIC REPORTS}, volume = {6}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Dhara, Ayan; Weinmann, Joshua; Krause, Ana-Maria; Beuerle, Florian Apical Functionalization of Tribenzotriquinacenes Journal Article CHEMISTRY-A EUROPEAN JOURNAL, 22 (35), pp. 12473-12478, 2016, ISSN: 0947-6539. @article{ISI:000382876500034, title = {Apical Functionalization of Tribenzotriquinacenes}, author = {Ayan Dhara and Joshua Weinmann and Ana-Maria Krause and Florian Beuerle}, doi = {10.1002/chem.201602622}, issn = {0947-6539}, year = {2016}, date = {2016-08-01}, journal = {CHEMISTRY-A EUROPEAN JOURNAL}, volume = {22}, number = {35}, pages = {12473-12478}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Yin, Yufeng; Zhao, Lidan; Zhang, Fengchun; Zhang, Xuan Impact of CD200-Fc on dendritic cells in lupus-prone NZB/WF1 mice Journal Article SCIENTIFIC REPORTS, 6 , 2016, ISSN: 2045-2322. @article{ISI:000381707200001, title = {Impact of CD200-Fc on dendritic cells in lupus-prone NZB/WF1 mice}, author = {Yufeng Yin and Lidan Zhao and Fengchun Zhang and Xuan Zhang}, doi = {10.1038/srep31874}, issn = {2045-2322}, year = {2016}, date = {2016-08-01}, journal = {SCIENTIFIC REPORTS}, volume = {6}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Zhang, Zuolun; Wang, Zheng; Haehnel, Martin; Eichhorn, Antonius; Edkins, Robert M; Steffen, Andreas; Krueger, Anke; Lin, Zhenyang; Marder, Todd B Synthesis and fluxional behaviour of novel chloroborole dimers Journal Article CHEMICAL COMMUNICATIONS, 52 (62), pp. 9707-9710, 2016, ISSN: 1359-7345. @article{ISI:000381328500022, title = {Synthesis and fluxional behaviour of novel chloroborole dimers}, author = {Zuolun Zhang and Zheng Wang and Martin Haehnel and Antonius Eichhorn and Robert M Edkins and Andreas Steffen and Anke Krueger and Zhenyang Lin and Todd B Marder}, doi = {10.1039/c6cc04831e}, issn = {1359-7345}, year = {2016}, date = {2016-08-01}, journal = {CHEMICAL COMMUNICATIONS}, volume = {52}, number = {62}, pages = {9707-9710}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Harkin, David J; Broch, Katharina; Schreck, Maximilian; Ceymann, Harald; Stoy, Andreas; Yong, Chaw-Keong; Nikolka, Mark; McCulloch, Iain; Stingelin, Natalie; Lambert, Christoph; Sirringhaus, Henning Decoupling Charge Transport and Electroluminescence in a High Mobility Polymer Semiconductor Journal Article ADVANCED MATERIALS, 28 (30), pp. 6378+, 2016, ISSN: 0935-9648. @article{ISI:000382480100011, title = {Decoupling Charge Transport and Electroluminescence in a High Mobility Polymer Semiconductor}, author = {David J Harkin and Katharina Broch and Maximilian Schreck and Harald Ceymann and Andreas Stoy and Chaw-Keong Yong and Mark Nikolka and Iain McCulloch and Natalie Stingelin and Christoph Lambert and Henning Sirringhaus}, doi = {10.1002/adma.201600851}, issn = {0935-9648}, year = {2016}, date = {2016-08-01}, journal = {ADVANCED MATERIALS}, volume = {28}, number = {30}, pages = {6378+}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Roehling, John D; Baran, Derya; Sit, Joseph; Kassar, Thaer; Ameri, Tayebeh; Unruh, Tobias; Brabec, Christoph J; Moule, Adam J Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size Journal Article SCIENTIFIC REPORTS, 6 , 2016, ISSN: 2045-2322. @article{ISI:000381456800001, title = {Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size}, author = {John D Roehling and Derya Baran and Joseph Sit and Thaer Kassar and Tayebeh Ameri and Tobias Unruh and Christoph J Brabec and Adam J Moule}, doi = {10.1038/srep30915}, issn = {2045-2322}, year = {2016}, date = {2016-08-01}, journal = {SCIENTIFIC REPORTS}, volume = {6}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Luponosov, Yuriy N; Min, Jie; Solodukhin, Alexander N; Bakirov, Artem V; Dmitryakov, Petr V; Shcherbina, Maxim A; Peregudova, Svetlana M; Cherkaev, Georgiy V; Chvalun, Sergei N; Brabec, Christoph J; Ponomarenko, Sergei A JOURNAL OF MATERIALS CHEMISTRY C, 4 (29), pp. 7061-7076, 2016, ISSN: 2050-7526. @article{ISI:000381329700016, title = {Star-shaped D-pi-A oligothiophenes with a tris(2-methoxyphenyl)amine core and alkyldicyanovinyl groups: synthesis and physical and photovoltaic properties}, author = {Yuriy N Luponosov and Jie Min and Alexander N Solodukhin and Artem V Bakirov and Petr V Dmitryakov and Maxim A Shcherbina and Svetlana M Peregudova and Georgiy V Cherkaev and Sergei N Chvalun and Christoph J Brabec and Sergei A Ponomarenko}, doi = {10.1039/c6tc01530a}, issn = {2050-7526}, year = {2016}, date = {2016-08-01}, journal = {JOURNAL OF MATERIALS CHEMISTRY C}, volume = {4}, number = {29}, pages = {7061-7076}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Singh, Shivam; Li, Cheng; Panzer, Fabian; Narasimhan, K L; Graeser, Anna; Gujar, Tanaji P; Koehler, Anna; Thelakkat, Mukundan; Huettner, Sven; Kabra, Dinesh Effect of Thermal and Structural Disorder on the Electronic Structure of Hybrid Perovskite Semiconductor CH3NH3PbI3 Journal Article JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7 (15), pp. 3014-3021, 2016, ISSN: 1948-7185. @article{ISI:000381236400023, title = {Effect of Thermal and Structural Disorder on the Electronic Structure of Hybrid Perovskite Semiconductor CH3NH3PbI3}, author = {Shivam Singh and Cheng Li and Fabian Panzer and K L Narasimhan and Anna Graeser and Tanaji P Gujar and Anna Koehler and Mukundan Thelakkat and Sven Huettner and Dinesh Kabra}, doi = {10.1021/acs.jpclett.6b01207}, issn = {1948-7185}, year = {2016}, date = {2016-08-01}, journal = {JOURNAL OF PHYSICAL CHEMISTRY LETTERS}, volume = {7}, number = {15}, pages = {3014-3021}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Strauss, Volker; Radhakrishnan, Shankara Gayathri; Malig, Jenny; Jux, Norbert; Guldi, Dirk M Catching metallic nitride endohedral fullerenes in organic and aqueous media Journal Article JOURNAL OF PORPHYRINS AND PHTHALOCYANINES, 20 (8-11), pp. 1025-1033, 2016, ISSN: 1088-4246. @article{ISI:000390248600015, title = {Catching metallic nitride endohedral fullerenes in organic and aqueous media}, author = {Volker Strauss and Shankara Gayathri Radhakrishnan and Jenny Malig and Norbert Jux and Dirk M Guldi}, doi = {10.1142/S1088424616500711}, issn = {1088-4246}, year = {2016}, date = {2016-08-01}, journal = {JOURNAL OF PORPHYRINS AND PHTHALOCYANINES}, volume = {20}, number = {8-11}, pages = {1025-1033}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Al-Hussein, Mahmoud; Herzig, Eva M; Schindler, Markus; Loehrer, Franziska; Palumbiny, Claudia M; Wang, Weijia; Roth, Stephan V; Mueller-Buschbaum, Peter Comparative Study of the Nanomorphology of Spray and Spin Coated PTB7 Polymer: Fullerene Films Journal Article POLYMER ENGINEERING AND SCIENCE, 56 (8), pp. 889-894, 2016, ISSN: 0032-3888. @article{ISI:000383689000005, title = {Comparative Study of the Nanomorphology of Spray and Spin Coated PTB7 Polymer: Fullerene Films}, author = {Mahmoud Al-Hussein and Eva M Herzig and Markus Schindler and Franziska Loehrer and Claudia M Palumbiny and Weijia Wang and Stephan V Roth and Peter Mueller-Buschbaum}, doi = {10.1002/pen.24317}, issn = {0032-3888}, year = {2016}, date = {2016-08-01}, journal = {POLYMER ENGINEERING AND SCIENCE}, volume = {56}, number = {8}, pages = {889-894}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Liewald, C; Reiser, D; Westermeier, C; Nickel, B Photocurrent microscopy of contact resistance and charge carrier traps in organic field-effect transistors Journal Article APPLIED PHYSICS LETTERS, 109 (5), 2016, ISSN: 0003-6951. @article{ISI:000383091400042, title = {Photocurrent microscopy of contact resistance and charge carrier traps in organic field-effect transistors}, author = {C Liewald and D Reiser and C Westermeier and B Nickel}, doi = {10.1063/1.4960159}, issn = {0003-6951}, year = {2016}, date = {2016-08-01}, journal = {APPLIED PHYSICS LETTERS}, volume = {109}, number = {5}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT Journal Article JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (8), pp. 4052-4066, 2016, ISSN: 1549-9618. @article{ISI:000381320200056, title = {Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT}, author = {Stefan Ringe and Harald Oberhofer and Christoph Hille and Sebastian Matera and Karsten Reuter}, doi = {10.1021/acs.jctc.6b00435}, issn = {1549-9618}, year = {2016}, date = {2016-08-01}, journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, volume = {12}, number = {8}, pages = {4052-4066}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Bentlohner, Manuel M; Jantke, Laura-Alice; Henneberger, Thomas; Fischer, Christina; Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F Chemistry - A European Journal, 22 (39), pp. 13946–13952, 2016. @article{Bentlohner2016, title = {On the Nature of Bridging Metal Atoms in Intermetalloid Clusters: Synthesis and Structure of the Metal-Atom-Bridged Zintl Clusters [Sn(Ge9)2]4-and [Zn(Ge9)2)]6-}, author = {Manuel M Bentlohner and Laura-Alice Jantke and Thomas Henneberger and Christina Fischer and Kerstin Mayer and Wilhelm Klein and Thomas F Fässler}, doi = {10.1002/chem.201601706}, year = {2016}, date = {2016-08-01}, journal = {Chemistry - A European Journal}, volume = {22}, number = {39}, pages = {13946--13952}, publisher = {Wiley}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Min, Jie; Cui, Chaohua; Heumueller, Thomas; Fladischer, Stefanie; Cheng, Xiao; Spiecker, Erdmann; Li, Yongfang; Brabec, Christoph J Side-Chain Engineering for Enhancing the Properties of Small Molecule Solar Cells: A Trade-off Beyond Efficiency Journal Article ADVANCED ENERGY MATERIALS, 6 (14), 2016, ISSN: 1614-6832. @article{ISI:000381693700015b, title = {Side-Chain Engineering for Enhancing the Properties of Small Molecule Solar Cells: A Trade-off Beyond Efficiency}, author = {Jie Min and Chaohua Cui and Thomas Heumueller and Stefanie Fladischer and Xiao Cheng and Erdmann Spiecker and Yongfang Li and Christoph J Brabec}, doi = {10.1002/aenm.201600515}, issn = {1614-6832}, year = {2016}, date = {2016-07-01}, journal = {ADVANCED ENERGY MATERIALS}, volume = {6}, number = {14}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Stolarczyk, Jacek K; Deak, Andras; Brougham, Dermot F Nanoparticle Clusters: Assembly and Control Over Internal Order, Current Capabilities, and Future Potential Journal Article ADVANCED MATERIALS, 28 (27, SI), pp. 5400-5424, 2016, ISSN: 0935-9648. @article{ISI:000379973600005b, title = {Nanoparticle Clusters: Assembly and Control Over Internal Order, Current Capabilities, and Future Potential}, author = {Jacek K Stolarczyk and Andras Deak and Dermot F Brougham}, doi = {10.1002/adma.201505350}, issn = {0935-9648}, year = {2016}, date = {2016-07-01}, journal = {ADVANCED MATERIALS}, volume = {28}, number = {27, SI}, pages = {5400-5424}, keywords = {}, pubstate = {published}, tppubtype = {article} } |
Schaffhauser, Philipp; Kuemmel, Stephan Simulating atomic force microscope images with density functional theory: The role of nonclassical contributions to the force Journal Article PHYSICAL REVIEW B, 94 (3), 2016, ISSN: 2469-9950. @article{ISI:000380099800007b, title = {Simulating atomic force microscope images with density functional theory: The role of nonclassical contributions to the force}, author = {Philipp Schaffhauser and Stephan Kuemmel}, doi = {10.1103/PhysRevB.94.035426}, issn = {2469-9950}, year = {2016}, date = {2016-07-01}, journal = {PHYSICAL REVIEW B}, volume = {94}, number = {3}, keywords = {}, pubstate = {published}, tppubtype = {article} } |