Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors

Grit Kupgan; Xian Kai Chen; Jean Luc Brédas

doi:10.1021/acsmaterialslett.9b00248

Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors

Grit Kupgan, Xian Kai Chen, Jean Luc Brédas

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

The energetic disorder in representative small-molecule non-fullerene electron acceptors (SM-NFAs) exploited in high-efficiency organic solar cells, is quantified via the combination of molecular dynamics simulations and long-range corrected density functional theory calculations. Our results underline that, with respect to the common fullerene acceptor PC71BM, the total energetic disorder related to these SM-NFAs is reduced by as much as one-third. These results help rationalize the origin of the low voltage losses measured in efficient SM-NFA-based organic solar cells.

Original language	English (US)
Pages (from-to)	350-353
Number of pages	4
Journal	ACS Materials Letters
Volume	1
Issue number	3
DOIs	https://doi.org/10.1021/acsmaterialslett.9b00248
State	Published - Sep 3 2019
Externally published	Yes

ASJC Scopus subject areas

Chemical Engineering(all)
Biomedical Engineering
Materials Science(all)

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10.1021/acsmaterialslett.9b00248

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title = "Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors",

abstract = "The energetic disorder in representative small-molecule non-fullerene electron acceptors (SM-NFAs) exploited in high-efficiency organic solar cells, is quantified via the combination of molecular dynamics simulations and long-range corrected density functional theory calculations. Our results underline that, with respect to the common fullerene acceptor PC71BM, the total energetic disorder related to these SM-NFAs is reduced by as much as one-third. These results help rationalize the origin of the low voltage losses measured in efficient SM-NFA-based organic solar cells. ",

author = "Grit Kupgan and Chen, {Xian Kai} and Br{\'e}das, {Jean Luc}",

note = "Funding Information: The authors gratefully acknowledge funding of this work by the Department of the Navy, Office of Naval Research, under the MURI “Center for Advanced Organic Photovoltaics” (Awards Nos. N00014-14-1-0580 and N00014-16-1-2520) and under Award No. N00014-17-1-2208. The authors are grateful to Dr. Tonghui Wang for the PCBM data file and Dr. Veaceslav Coropeanu for stimulating discussions. 71 Publisher Copyright: Copyright {\textcopyright} 2019 American Chemical Society.",

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doi = "10.1021/acsmaterialslett.9b00248",

language = "English (US)",

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AU - Kupgan, Grit

AU - Chen, Xian Kai

AU - Brédas, Jean Luc

N1 - Funding Information: The authors gratefully acknowledge funding of this work by the Department of the Navy, Office of Naval Research, under the MURI “Center for Advanced Organic Photovoltaics” (Awards Nos. N00014-14-1-0580 and N00014-16-1-2520) and under Award No. N00014-17-1-2208. The authors are grateful to Dr. Tonghui Wang for the PCBM data file and Dr. Veaceslav Coropeanu for stimulating discussions. 71 Publisher Copyright: Copyright © 2019 American Chemical Society.

PY - 2019/9/3

Y1 - 2019/9/3

N2 - The energetic disorder in representative small-molecule non-fullerene electron acceptors (SM-NFAs) exploited in high-efficiency organic solar cells, is quantified via the combination of molecular dynamics simulations and long-range corrected density functional theory calculations. Our results underline that, with respect to the common fullerene acceptor PC71BM, the total energetic disorder related to these SM-NFAs is reduced by as much as one-third. These results help rationalize the origin of the low voltage losses measured in efficient SM-NFA-based organic solar cells.

AB - The energetic disorder in representative small-molecule non-fullerene electron acceptors (SM-NFAs) exploited in high-efficiency organic solar cells, is quantified via the combination of molecular dynamics simulations and long-range corrected density functional theory calculations. Our results underline that, with respect to the common fullerene acceptor PC71BM, the total energetic disorder related to these SM-NFAs is reduced by as much as one-third. These results help rationalize the origin of the low voltage losses measured in efficient SM-NFA-based organic solar cells.

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Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors

Abstract

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