Abstract
We review some of the computational methodologies used in our research group to develop a better understanding of the geometric and electronic structures of organic-organic interfaces present in the active layer of organic solar cells. We focus in particular on the exciton-dissociation and charge-transfer processes at the pentacene-fullerene interface. We also discuss the local morphology at this interface on the basis of molecular dynamics simulations.
Original language | English (US) |
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Pages (from-to) | 1330-1339 |
Number of pages | 10 |
Journal | Science China Chemistry |
Volume | 57 |
Issue number | 10 |
DOIs | |
State | Published - Oct 2014 |
Bibliographical note
Publisher Copyright:© 2014 Science China Press and Springer-Verlag Berlin Heidelberg.
Keywords
- multi-scale simulations
- organic photovoltaics
- organic-organic interface
ASJC Scopus subject areas
- General Chemistry