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Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes.

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...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/ja300851q

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Bundesministerium für Bildung und Forschung More from this funder
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

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