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Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance

Yuang Fu, Tack Ho Lee, Yi-Chun Chin Orcid Logo, Richard A. Pacalaj, Chiara Labanti Orcid Logo, Song Yi Park, Yifan Dong, Hye Won Cho Orcid Logo, Jin Young Kim Orcid Logo, Daiki Minami Orcid Logo, James Durrant Orcid Logo, Ji-Seon Kim Orcid Logo

Nature Communications, Volume: 14, Issue: 1

Swansea University Author: James Durrant Orcid Logo

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DOI (Published version): 10.1038/s41467-023-37234-0

Abstract

The non-fullerene acceptors (NFAs) employed in state-of-art organic photovoltaics (OPVs) often exhibit strong quadrupole moments which can strongly impact on material energetics. Herein, we show that changing the orientation of Y6, a prototypical NFA, from face-on to more edge-on by using different...

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Published in: Nature Communications
ISSN: 2041-1723
Published: Springer Science and Business Media LLC 2023
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URI: https://cronfa.swan.ac.uk/Record/cronfa63166
first_indexed 2023-05-11T12:09:44Z
last_indexed 2024-11-15T18:01:03Z
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spelling 2023-05-18T14:09:08.3781194 v2 63166 2023-04-17 Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance f3dd64bc260e5c07adfa916c27dbd58a 0000-0001-8353-7345 James Durrant James Durrant true false 2023-04-17 EAAS The non-fullerene acceptors (NFAs) employed in state-of-art organic photovoltaics (OPVs) often exhibit strong quadrupole moments which can strongly impact on material energetics. Herein, we show that changing the orientation of Y6, a prototypical NFA, from face-on to more edge-on by using different processing solvents causes a significant energetic shift of up to 210 meV. The impact of this energetic shift on OPV performance is investigated in both bilayer and bulk-heterojunction (BHJ) devices with PM6 polymer donor. The device electronic bandgap and the rate of non-geminate recombination are found to depend on the Y6 orientation in both bilayer and BHJ devices, attributed to the quadrupole moment-induced band bending. Analogous energetic shifts are also observed in other common polymer/NFA blends, which correlates well with NFA quadrupole moments. This work demonstrates the key impact of NFA quadruple moments and molecular orientation on material energetics and thereby on the efficiency of high-performance OPVs. Journal Article Nature Communications 14 1 Springer Science and Business Media LLC 2041-1723 Materials for energy and catalysis, Solar cells 4 4 2023 2023-04-04 10.1038/s41467-023-37234-0 http://dx.doi.org/10.1038/s41467-023-37234-0 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University 2023-05-18T14:09:08.3781194 2023-04-17T10:04:18.2528317 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Yuang Fu 1 Tack Ho Lee 2 Yi-Chun Chin 0000-0002-4434-7271 3 Richard A. Pacalaj 4 Chiara Labanti 0000-0002-9732-388x 5 Song Yi Park 6 Yifan Dong 7 Hye Won Cho 0000-0002-8745-3277 8 Jin Young Kim 0000-0002-6595-4468 9 Daiki Minami 0009-0007-9230-4747 10 James Durrant 0000-0001-8353-7345 11 Ji-Seon Kim 0000-0003-4715-3656 12 63166__27061__32f10009dcbd4b069844bedc794d990c.pdf 63166.pdf 2023-04-17T10:07:06.5185247 Output 1254914 application/pdf Version of Record true This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. true eng http://creativecommons.org/licenses/by/4.0/
title Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
spellingShingle Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
James Durrant
title_short Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
title_full Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
title_fullStr Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
title_full_unstemmed Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
title_sort Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance
author_id_str_mv f3dd64bc260e5c07adfa916c27dbd58a
author_id_fullname_str_mv f3dd64bc260e5c07adfa916c27dbd58a_***_James Durrant
author James Durrant
author2 Yuang Fu
Tack Ho Lee
Yi-Chun Chin
Richard A. Pacalaj
Chiara Labanti
Song Yi Park
Yifan Dong
Hye Won Cho
Jin Young Kim
Daiki Minami
James Durrant
Ji-Seon Kim
format Journal article
container_title Nature Communications
container_volume 14
container_issue 1
publishDate 2023
institution Swansea University
issn 2041-1723
doi_str_mv 10.1038/s41467-023-37234-0
publisher Springer Science and Business Media LLC
college_str Faculty of Science and Engineering
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hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
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department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
url http://dx.doi.org/10.1038/s41467-023-37234-0
document_store_str 1
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description The non-fullerene acceptors (NFAs) employed in state-of-art organic photovoltaics (OPVs) often exhibit strong quadrupole moments which can strongly impact on material energetics. Herein, we show that changing the orientation of Y6, a prototypical NFA, from face-on to more edge-on by using different processing solvents causes a significant energetic shift of up to 210 meV. The impact of this energetic shift on OPV performance is investigated in both bilayer and bulk-heterojunction (BHJ) devices with PM6 polymer donor. The device electronic bandgap and the rate of non-geminate recombination are found to depend on the Y6 orientation in both bilayer and BHJ devices, attributed to the quadrupole moment-induced band bending. Analogous energetic shifts are also observed in other common polymer/NFA blends, which correlates well with NFA quadrupole moments. This work demonstrates the key impact of NFA quadruple moments and molecular orientation on material energetics and thereby on the efficiency of high-performance OPVs.
published_date 2023-04-04T08:20:48Z
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