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

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
Externally published	Yes

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.",

keywords = "multi-scale simulations, organic photovoltaics, organic-organic interface",

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

note = "Publisher Copyright: {\textcopyright} 2014 Science China Press and Springer-Verlag Berlin Heidelberg.",

year = "2014",

month = oct,

doi = "10.1007/s11426-014-5184-x",

language = "English (US)",

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T2 - A brief review

AU - Fu, Yao Tsung

AU - Yi, Yuanping

AU - Coropceanu, Veaceslav

AU - Risko, Chad

AU - Aziz, Saadullah G.

AU - Brédas, Jean Luc

PY - 2014/10

Y1 - 2014/10

N2 - 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.

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

UR - https://www.scopus.com/pages/publications/85027941932

UR - https://www.scopus.com/inward/citedby.url?scp=85027941932&partnerID=8YFLogxK

U2 - 10.1007/s11426-014-5184-x

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SP - 1330

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JO - Science China Chemistry

JF - Science China Chemistry

IS - 10

ER -

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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