Energetics of charges in organic semiconductors and at organic donor–acceptor interfaces
Author:
Affiliation:
1. Optoelectronic Materials
2. Department of Chemical Engineering
3. Delft University of Technology
4. Delft, The Netherlands
5. Institucio Catalana de Recerca i Estudis Avançats (ICREA)
6. Barcelona, Spain
Abstract
We calculated the energy landscape of charged molecules that is determined by electrostatic and induction interaction using the fully polarizable force field DRF90 in the bulk and at interfaces of the electron accepting material C60, and two exemplary electron donating materials pentacene and phthalocyanine.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2014/TC/C3TC32475C
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