Martin Schwarze, Karl Sebastian Schellhammer, Katrin Ortstein, Johannes Benduhn, Christopher Gaul, Alexander Hinderhofer, Lorena Perdigón-Toro, Reinhard Scholz, Jonas Kublitski, Steffen Roland, Matthias Lau, Carl Poelking, Denis Andrienko, Gianaurelio Cuniberti, Frank Schreiber, Dieter Neher, Koen Vandewal, Frank Ortmann, Karl Leo
- The functionality of organic semiconductor devices crucially depends on molecular energies, namely the ionisation energy and the electron affinity. Ionisation energy and electron affinity values of thin films are, however, sensitive to film morphology and composition, making their prediction challenging. In a combined experimental and simulation study on zinc-phthalocyanine and its fluorinated derivatives, we show that changes in ionisation energy as a function of molecular orientation in neat films or mixing ratio in blends are proportional to the molecular quadrupole component along the p-p-stacking direction. We apply these findings to organic solar cells and demonstrate how the electrostatic interactions can be tuned to optimise the energy of the charge-transfer state at the donor-acceptor interface and the dissociation barrier for free charge carrier generation. The confirmation of the correlation between interfacial energies and quadrupole moments for other materials indicates its relevance for small molecules and polymers.
MetadatenVerfasserangaben: | Martin SchwarzeORCiD, Karl Sebastian Schellhammer, Katrin OrtsteinORCiD, Johannes BenduhnORCiD, Christopher GaulORCiD, Alexander Hinderhofer, Lorena Perdigón-ToroORCiDGND, Reinhard Scholz, Jonas KublitskiORCiD, Steffen RolandORCiDGND, Matthias Lau, Carl Poelking, Denis AndrienkoORCiD, Gianaurelio CunibertiORCiD, Frank SchreiberORCiD, Dieter NeherORCiDGND, Koen VandewalORCiD, Frank OrtmannORCiD, Karl LeoORCiD |
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DOI: | https://doi.org/10.1038/s41467-019-10435-2 |
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ISSN: | 2041-1723 |
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Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/31165738 |
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Titel des übergeordneten Werks (Englisch): | Nature Communications |
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Verlag: | Nature Publ. Group |
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Verlagsort: | London |
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Publikationstyp: | Wissenschaftlicher Artikel |
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Sprache: | Englisch |
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Datum der Erstveröffentlichung: | 05.06.2019 |
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Erscheinungsjahr: | 2019 |
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Datum der Freischaltung: | 26.01.2021 |
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Band: | 10 |
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Seitenanzahl: | 9 |
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Fördernde Institution: | German Research Foundation (DFG) through the project MatWorldNet [LE-747/44-1]; DFGGerman Research Foundation (DFG) [OR-349/1, INST 336/94-1 FUGG]; German Federal Ministry for Education and Research (BMBF) grant InterPhase [FKZ 13N13661]; InnoProfile project "Organische p-i-n Bauelemente 2.2" [03IPT602X]; NMP-20-2014-"Widening materials models" programme [646259]; Open Access Publication Funds of the SLUB/TU Dresden |
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Organisationseinheiten: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
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DDC-Klassifikation: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
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Peer Review: | Referiert |
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Publikationsweg: | Open Access / Gold Open-Access |
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| DOAJ gelistet |
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Lizenz (Deutsch): | CC-BY - Namensnennung 4.0 International |
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