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

    7 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 - 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

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