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

doi:10.1007/s11426-014-5184-x

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 journal › Article › peer-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 language	English (US)
Pages (from-to)	1330-1339
Number of pages	10
Journal	Science China Chemistry
Volume	57
Issue number	10
DOIs	https://doi.org/10.1007/s11426-014-5184-x
State	Published - Oct 2014

Keywords

multi-scale simulations
organic photovoltaics
organic-organic interface

ASJC Scopus subject areas

General Chemistry

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10.1007/s11426-014-5184-x

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

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.",

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author = "Fu, {Yao Tsung} and Yuanping Yi and Veaceslav Coropceanu and Chad Risko and Aziz, {Saadullah G.} and Br{\'e}das, {Jean Luc}",

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AU - Coropceanu, Veaceslav

AU - Risko, Chad

AU - Aziz, Saadullah G.

AU - Brédas, Jean Luc

PY - 2014/10

Y1 - 2014/10

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AB - 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.

KW - multi-scale simulations

KW - organic photovoltaics

KW - organic-organic interface

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

Abstract

Keywords

ASJC Scopus subject areas

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