Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers

Glycol sidechains are often used to enhance the performance of organic photoconversion and electrochemical devices. Herein, we study their effects on electronic states and electronic properties. We find that polymer glycolation not only induces more disordered packing, but also results in a higher r...

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Autores: Pagano, Katia, Kim, Jin Gwan, Luke, Joel, Tan, Ellasia, Stewart, Katherine, Sazanovich, Igor V., Karras, Gabriel, Gonev, Hristo Ivov, Marsh, Adam V., Kim, Na Yeong, Kwon, Sooncheol, Kim, Young Yong, Alonso Carmona, M. Isabel, Dörling, Bernhard, Campoy Quiles, Mariano, Parker, Anthony W., Clarke, Tracey M., Kim, Yun-Hi, Kim, Ji-Seon
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/365380
Acceso en línea:http://hdl.handle.net/10261/365380
https://api.elsevier.com/content/abstract/scopus_id/85199133537
Access Level:acceso abierto
Palabra clave:Side chains
Replacing alkyl
Charge transfer
Oligothiophenes
Fluorescence
Spectroscopy
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oai_identifier_str oai:digital.csic.es:10261/365380
network_acronym_str ES
network_name_str España
repository_id_str
dc.title.none.fl_str_mv Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
title Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
spellingShingle Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
Pagano, Katia
Side chains
Replacing alkyl
Charge transfer
Oligothiophenes
Fluorescence
Spectroscopy
title_short Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
title_full Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
title_fullStr Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
title_full_unstemmed Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
title_sort Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
dc.creator.none.fl_str_mv Pagano, Katia
Kim, Jin Gwan
Luke, Joel
Tan, Ellasia
Stewart, Katherine
Sazanovich, Igor V.
Karras, Gabriel
Gonev, Hristo Ivov
Marsh, Adam V.
Kim, Na Yeong
Kwon, Sooncheol
Kim, Young Yong
Alonso Carmona, M. Isabel
Dörling, Bernhard
Campoy Quiles, Mariano
Parker, Anthony W.
Clarke, Tracey M.
Kim, Yun-Hi
Kim, Ji-Seon
author Pagano, Katia
author_facet Pagano, Katia
Kim, Jin Gwan
Luke, Joel
Tan, Ellasia
Stewart, Katherine
Sazanovich, Igor V.
Karras, Gabriel
Gonev, Hristo Ivov
Marsh, Adam V.
Kim, Na Yeong
Kwon, Sooncheol
Kim, Young Yong
Alonso Carmona, M. Isabel
Dörling, Bernhard
Campoy Quiles, Mariano
Parker, Anthony W.
Clarke, Tracey M.
Kim, Yun-Hi
Kim, Ji-Seon
author_role author
author2 Kim, Jin Gwan
Luke, Joel
Tan, Ellasia
Stewart, Katherine
Sazanovich, Igor V.
Karras, Gabriel
Gonev, Hristo Ivov
Marsh, Adam V.
Kim, Na Yeong
Kwon, Sooncheol
Kim, Young Yong
Alonso Carmona, M. Isabel
Dörling, Bernhard
Campoy Quiles, Mariano
Parker, Anthony W.
Clarke, Tracey M.
Kim, Yun-Hi
Kim, Ji-Seon
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Department for Business, Energy and Industrial Strategy (UK)
Engineering and Physical Sciences Research Council (UK)
National Research Foundation of Korea
Ministerio de Ciencia, Innovación y Universidades (España)
Ministerio de Ciencia e Innovación (España)
Agencia Estatal de Investigación (España)
Generalitat de Catalunya
Pagano, Katia [0000-0002-7680-9370]
Luke, Joel [0000-0003-3208-8572]
Sazanovich, Igor V. [0000-0002-8000-7645]
Gonev, Hristo Ivov [0000-0002-9752-4008]
Kim, Young Yong [0000-0001-6102-9518]
Alonso Carmona, M. Isabel [0000-0001-7669-5871]
Dörling, Bernhard [0000-0003-3171-0526]
Campoy Quiles, Mariano [0000-0002-8911-640X]
Parker, Anthony W. [0000-0003-3094-9762]
Clarke, Tracey M. [0000-0003-4943-0645]
Kim, Yun-Hi [0000-0001-8856-4414]
Kim, Ji-Seon [0000-0003-4715-3656]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Side chains
Replacing alkyl
Charge transfer
Oligothiophenes
Fluorescence
Spectroscopy
topic Side chains
Replacing alkyl
Charge transfer
Oligothiophenes
Fluorescence
Spectroscopy
description Glycol sidechains are often used to enhance the performance of organic photoconversion and electrochemical devices. Herein, we study their effects on electronic states and electronic properties. We find that polymer glycolation not only induces more disordered packing, but also results in a higher reorganisation energy due to more localised π-electron density. Transient absorption spectroscopy and femtosecond stimulated Raman spectroscopy are utilised to monitor the structural relaxation dynamics coupled to the excited state formation upon photoexcitation. Singlet excitons are initially formed, followed by polaron pair formation. The associated structural relaxation slows down in glycolated polymers (5 ps vs. 1.25 ps for alkylated), consistent with larger reorganisation energy. This slower vibrational relaxation is found to drive ultrafast formation of the polaron pair state (5 ps vs. 10 ps for alkylated). These results provide key experimental evidence demonstrating the impact of molecular structure on electronic state formation driven by strong vibrational coupling.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/365380
https://api.elsevier.com/content/abstract/scopus_id/85199133537
url http://hdl.handle.net/10261/365380
https://api.elsevier.com/content/abstract/scopus_id/85199133537
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-128924OB-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2017-2020/CEX2019-000917-S
Nature communications
http://doi.org/10.1038/s41467-024-50530-7

dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Nature Publishing Group
publisher.none.fl_str_mv Nature Publishing Group
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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spelling Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymersPagano, KatiaKim, Jin GwanLuke, JoelTan, EllasiaStewart, KatherineSazanovich, Igor V.Karras, GabrielGonev, Hristo IvovMarsh, Adam V.Kim, Na YeongKwon, SooncheolKim, Young YongAlonso Carmona, M. IsabelDörling, BernhardCampoy Quiles, MarianoParker, Anthony W.Clarke, Tracey M.Kim, Yun-HiKim, Ji-SeonSide chainsReplacing alkylCharge transferOligothiophenesFluorescenceSpectroscopyGlycol sidechains are often used to enhance the performance of organic photoconversion and electrochemical devices. Herein, we study their effects on electronic states and electronic properties. We find that polymer glycolation not only induces more disordered packing, but also results in a higher reorganisation energy due to more localised π-electron density. Transient absorption spectroscopy and femtosecond stimulated Raman spectroscopy are utilised to monitor the structural relaxation dynamics coupled to the excited state formation upon photoexcitation. Singlet excitons are initially formed, followed by polaron pair formation. The associated structural relaxation slows down in glycolated polymers (5 ps vs. 1.25 ps for alkylated), consistent with larger reorganisation energy. This slower vibrational relaxation is found to drive ultrafast formation of the polaron pair state (5 ps vs. 10 ps for alkylated). These results provide key experimental evidence demonstrating the impact of molecular structure on electronic state formation driven by strong vibrational coupling.The authors are thankful for the opportunity and funding made available by the STFC and UKRI for access to the Central Laser Facility (App. #22130036) and would like to acknowledge all CLF staff who aided us with our measurements during our beamtime. The authors would like to thank Prof. James Durrant for insightful discussions and Dr. Sam Hillman for TAS analysis guidance. K.P., J.L., E.T., K.S., and J.S.K. acknowledge the UK EPSRC for studentships under DTG and the Processable Electronics Centre for Doctoral Training (EP/L016702/1). This research was also supported by the UK Department for Business, Energy and Industrial Strategy (BEIS) through the National Measurement System and the Val O’Donoghue PhD Scholarship at Imperial College London. J.L. and J.S.K acknowledge funding from the UK EPSRC ATIP Programme Grant (EP/T028513/1). Y.H.K., J.K. and N.Y.K. acknowledge National Research Foundation grant NRF (RS-2023-00301974) and NRF (RS-2024-00336766) for financial support. T.M.C. and H.I.G. would like to acknowledge support from the EPSRC (EP/N509577/1, EP/T517793/1). B.D., M.I.A. and M.C.Q. thank the financial support from the Spanish Ministry of Science and Innovation through projects PID2021-128924OB-I00 and CEX2019-000917-S (FUNFUTURE, Spanish Severo Ochoa Centre of Excellence program) and Generalitat de Catalunya (2021-SGR-00444).With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2019-000917-S).Peer reviewedNature Publishing GroupDepartment for Business, Energy and Industrial Strategy (UK)Engineering and Physical Sciences Research Council (UK)National Research Foundation of KoreaMinisterio de Ciencia, Innovación y Universidades (España)Ministerio de Ciencia e Innovación (España)Agencia Estatal de Investigación (España)Generalitat de CatalunyaPagano, Katia [0000-0002-7680-9370]Luke, Joel [0000-0003-3208-8572]Sazanovich, Igor V. [0000-0002-8000-7645]Gonev, Hristo Ivov [0000-0002-9752-4008]Kim, Young Yong [0000-0001-6102-9518]Alonso Carmona, M. Isabel [0000-0001-7669-5871]Dörling, Bernhard [0000-0003-3171-0526]Campoy Quiles, Mariano [0000-0002-8911-640X]Parker, Anthony W. [0000-0003-3094-9762]Clarke, Tracey M. [0000-0003-4943-0645]Kim, Yun-Hi [0000-0001-8856-4414]Kim, Ji-Seon [0000-0003-4715-3656]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/365380https://api.elsevier.com/content/abstract/scopus_id/85199133537reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-128924OB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2017-2020/CEX2019-000917-SNature communicationshttp://doi.org/10.1038/s41467-024-50530-7Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3653802026-05-22T06:33:51Z
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