Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: A brief review

Yao Tsung Fu, Yuanping Yi, Veaceslav Coropceanu, Chad Risko, Saadullah G. Aziz, Jean Luc Brédas*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

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 languageEnglish (US)
Pages (from-to)1330-1339
Number of pages10
JournalScience China Chemistry
Volume57
Issue number10
DOIs
StatePublished - 2014

Keywords

  • multi-scale simulations
  • organic photovoltaics
  • organic-organic interface

ASJC Scopus subject areas

  • Chemistry(all)

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