- Abstract:
-
By performing microscopic charge transport simulations for a set of crystalline dicyanovinyl-substituted oligothiophenes, we find that the internal acceptor-donor-acceptor molecular architecture combined with thermal fluctuations of dihedral angles results in large variations of local electric fields, substantial energetic disorder, and pronounced Poole-Frenkel behavior, which is unexpected for crystalline compounds. We show that the presence of static molecular dipoles causes large energetic...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Publisher copy:
- 10.1021/ja300851q
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- Publisher:
- American Chemical Society Publisher's website
- Journal:
- Journal of the American Chemical Society Journal website
- Volume:
- 134
- Issue:
- 13
- Pages:
- 6052-6056
- Publication date:
- 2012-04-05
- DOI:
- EISSN:
-
1520-5126
- ISSN:
-
0002-7863
- URN:
-
uuid:32851eda-9711-450f-8d9f-4c7a513f6138
- Source identifiers:
-
403009
- Local pid:
- pubs:403009
- Language:
- English
- Copyright holder:
- American Chemical Society
- Copyright date:
- 2012
- Notes:
- © 2012 American Chemical Society. The full text of this article is not available in ORA. You may be able to access the article via the publisher copy link above.
Journal article
Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes.
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Bundesministerium für Bildung und Forschung
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