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Article: Factors That Prevent Spin-Triplet Recombination in Non-fullerene Organic Photovoltaics

TitleFactors That Prevent Spin-Triplet Recombination in Non-fullerene Organic Photovoltaics
Authors
Issue Date2021
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/loi/jpclcd
Citation
The Journal of Physical Chemistry Letters, 2021, v. 12 n. 21, p. 5045-5051 How to Cite?
AbstractManaging the dynamics of spin-triplet electronic states is crucial for achieving high-performance organic photovoltaics. Here we show that the replacement of fullerene with non-fullerene acceptor (NFA) molecules leads to suppression of triplet recombination and thus more efficient charge generation. This indicates that the relaxation of charges to the local triplet exciton state, although energetically allowed, is outcompeted by the thermally activated separation of interfacial charge-transfer excitons (CTEs) in the NFA-based system. By rationalizing our results with Marcus theory, we propose that triplet recombination in the fullerene system is driven by the small energy difference and strong electronic couplings between the CTE state and the lowest-lying triplet exciton state (T1) of fullerene acceptor molecules. In contrast, the large energy difference and small electronic couplings between these states in the NFA-based blends lead to sufficiently slow triplet relaxation rate compared to the charge separation rate (≪1010 s–1), thus preventing triplet recombination.
Persistent Identifierhttp://hdl.handle.net/10722/302056
ISSN
2023 Impact Factor: 4.8
2023 SCImago Journal Rankings: 1.586
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorChow, PCY-
dc.contributor.authorChan, CCS-
dc.contributor.authorMa, C-
dc.contributor.authorZou, X-
dc.contributor.authorYan, H-
dc.contributor.authorWong, KS-
dc.date.accessioned2021-08-21T03:30:56Z-
dc.date.available2021-08-21T03:30:56Z-
dc.date.issued2021-
dc.identifier.citationThe Journal of Physical Chemistry Letters, 2021, v. 12 n. 21, p. 5045-5051-
dc.identifier.issn1948-7185-
dc.identifier.urihttp://hdl.handle.net/10722/302056-
dc.description.abstractManaging the dynamics of spin-triplet electronic states is crucial for achieving high-performance organic photovoltaics. Here we show that the replacement of fullerene with non-fullerene acceptor (NFA) molecules leads to suppression of triplet recombination and thus more efficient charge generation. This indicates that the relaxation of charges to the local triplet exciton state, although energetically allowed, is outcompeted by the thermally activated separation of interfacial charge-transfer excitons (CTEs) in the NFA-based system. By rationalizing our results with Marcus theory, we propose that triplet recombination in the fullerene system is driven by the small energy difference and strong electronic couplings between the CTE state and the lowest-lying triplet exciton state (T1) of fullerene acceptor molecules. In contrast, the large energy difference and small electronic couplings between these states in the NFA-based blends lead to sufficiently slow triplet relaxation rate compared to the charge separation rate (≪1010 s–1), thus preventing triplet recombination.-
dc.languageeng-
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/loi/jpclcd-
dc.relation.ispartofThe Journal of Physical Chemistry Letters-
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in [JournalTitle], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html].-
dc.titleFactors That Prevent Spin-Triplet Recombination in Non-fullerene Organic Photovoltaics-
dc.typeArticle-
dc.identifier.emailChow, PCY: pcyc@hku.hk-
dc.identifier.authorityChow, PCY=rp02699-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/acs.jpclett.1c01214-
dc.identifier.pmid34019416-
dc.identifier.scopuseid_2-s2.0-85107711567-
dc.identifier.hkuros324164-
dc.identifier.volume12-
dc.identifier.issue21-
dc.identifier.spage5045-
dc.identifier.epage5051-
dc.identifier.isiWOS:000661113400001-
dc.publisher.placeUnited States-

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