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^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

34 Citations (Scopus)

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
Pages (from-to)	350-353
Journal	ACS Materials Letters
Volume	1
Issue number	3
Online published	6 Aug 2019
DOIs	https://doi.org/10.1021/acsmaterialslett.9b00248
Publication status	Published - 3 Sept 2019
Externally published	Yes

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SDG 7 Affordable and Clean Energy

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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 Xian-Kai Chen and Jean-Luc Br{\'e}das",

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T1 - Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors

AU - Kupgan, Grit

AU - Chen, Xian-Kai

AU - Brédas, Jean-Luc

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.

UR - https://www.scopus.com/pages/publications/85075667163

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-85075667163&origin=recordpage

U2 - 10.1021/acsmaterialslett.9b00248

DO - 10.1021/acsmaterialslett.9b00248

M3 - RGC 21 - Publication in refereed journal

SN - 2639-4979

VL - 1

SP - 350

EP - 353

JO - ACS Materials Letters

JF - ACS Materials Letters

IS - 3

ER -

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

Abstract

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