On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells

The bulk heterojunction (BHJ) is the standard configuration of the photoactive layer in single-junction organic solar cells. Therein, electron-rich (a donor polymer) and electron deficient (a small molecule acceptor) organic semiconductors are intimately blended to form a complex 3D network of cryst...

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Autores: Rodríguez Martínez, Xabier, Marina, Sara, Harillo Baños, Albert, Campoy Quiles, Mariano, Martin, Jaime
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/396074
Acceso en línea:http://hdl.handle.net/10261/396074
https://api.elsevier.com/content/abstract/scopus_id/105007688381
Access Level:acceso abierto
Palabra clave:Bulk heterojunction
Preaggregation
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dc.title.none.fl_str_mv On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
title On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
spellingShingle On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
Rodríguez Martínez, Xabier
Bulk heterojunction
Preaggregation
title_short On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
title_full On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
title_fullStr On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
title_full_unstemmed On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
title_sort On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cells
dc.creator.none.fl_str_mv Rodríguez Martínez, Xabier
Marina, Sara
Harillo Baños, Albert
Campoy Quiles, Mariano
Martin, Jaime
author Rodríguez Martínez, Xabier
author_facet Rodríguez Martínez, Xabier
Marina, Sara
Harillo Baños, Albert
Campoy Quiles, Mariano
Martin, Jaime
author_role author
author2 Marina, Sara
Harillo Baños, Albert
Campoy Quiles, Mariano
Martin, Jaime
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia e Innovación (España)
Agencia Estatal de Investigación (España)
European Research Council
Universidad de La Coruña
Rodríguez Martínez, Xabier [0000-0002-6715-4392]
Campoy Quiles, Mariano [0000-0002-8911-640X]
Martin, Jaime [0000-0002-9669-7273]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Bulk heterojunction
Preaggregation
topic Bulk heterojunction
Preaggregation
description The bulk heterojunction (BHJ) is the standard configuration of the photoactive layer in single-junction organic solar cells. Therein, electron-rich (a donor polymer) and electron deficient (a small molecule acceptor) organic semiconductors are intimately blended to form a complex 3D network of crystallites and vitrified regions that altogether determine the final device performance. Studying the relationship between said performance and the structural order achieved in the photoactive materials individually is desirable to discern the underlying structure-function relationship in organic solar cells, hence isolating, with no ambiguities, the role played by the structural order achieved in the donor and acceptor domains themselves on the device performance. This work precisely tackles the archetypal PBDB-T:ITIC blend to demonstrate how the structural order of the donor and acceptor fractions in the BHJ can be selectively tailored through an adequate selection of co-solvents during the film formation process. When using chloroform as unique solvent, both components exhibit a low degree of order in the BHJ. Conversely, the use of ortho-xylene yields BHJs in which PBDB-T shows enhanced structural order. Furthermore, the addition of 1,8-diiodooctane as co-solvent is found to spark the crystallization of ITIC without effect on the degree of order of PBDB-T, resulting in downgraded photovoltaic performance. Overall, BHJs in which ITIC remains in its vitrified state are beneficial, in which case the structural order achieved by PBDB-T has little to no effect. Notwithstanding, BHJs that contain ordered materials (donor and/or acceptor) show virtually no degradation after more than 3.5 years of shelf storage. This study, thus, pinpoints to (i) the microstructure attained by the acceptor domains and (ii) the presence of crystalline domains of either type (donor and/or acceptor) as the main determinants of the maximum achievable performance and the shelf stability of organic solar cells, respectively.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
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url http://hdl.handle.net/10261/396074
https://api.elsevier.com/content/abstract/scopus_id/105007688381
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
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Journal of Materials Chemistry C
http://doi.org/10.1039/d5tc01473e
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eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
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spelling On the impact of selective donor:acceptor structural ordering in PBDB-T:ITIC organic solar cellsRodríguez Martínez, XabierMarina, SaraHarillo Baños, AlbertCampoy Quiles, MarianoMartin, JaimeBulk heterojunctionPreaggregationThe bulk heterojunction (BHJ) is the standard configuration of the photoactive layer in single-junction organic solar cells. Therein, electron-rich (a donor polymer) and electron deficient (a small molecule acceptor) organic semiconductors are intimately blended to form a complex 3D network of crystallites and vitrified regions that altogether determine the final device performance. Studying the relationship between said performance and the structural order achieved in the photoactive materials individually is desirable to discern the underlying structure-function relationship in organic solar cells, hence isolating, with no ambiguities, the role played by the structural order achieved in the donor and acceptor domains themselves on the device performance. This work precisely tackles the archetypal PBDB-T:ITIC blend to demonstrate how the structural order of the donor and acceptor fractions in the BHJ can be selectively tailored through an adequate selection of co-solvents during the film formation process. When using chloroform as unique solvent, both components exhibit a low degree of order in the BHJ. Conversely, the use of ortho-xylene yields BHJs in which PBDB-T shows enhanced structural order. Furthermore, the addition of 1,8-diiodooctane as co-solvent is found to spark the crystallization of ITIC without effect on the degree of order of PBDB-T, resulting in downgraded photovoltaic performance. Overall, BHJs in which ITIC remains in its vitrified state are beneficial, in which case the structural order achieved by PBDB-T has little to no effect. Notwithstanding, BHJs that contain ordered materials (donor and/or acceptor) show virtually no degradation after more than 3.5 years of shelf storage. This study, thus, pinpoints to (i) the microstructure attained by the acceptor domains and (ii) the presence of crystalline domains of either type (donor and/or acceptor) as the main determinants of the maximum achievable performance and the shelf stability of organic solar cells, respectively.J. M. and S. M. thank financial support from the MICIU (PID2021-126243NB-I00). J. M. and X. R.-M. acknowledge funding from the European Research Council (Grant 101086805). GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff. M. C.-Q. and A. H.-B. acknowledge support by the MICIU/AEI/10.13039/501100011033 for the “Severo Ochoa” program for Centres of Excellence CEX2023-001263-S and grants PID2021-128924OB-I00 and TED2021-131911B-I00. The authors acknowledge Universidade da Coruña/CISUG for the funding received for open access charge.With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2023-001263-S).Peer reviewedRoyal Society of Chemistry (UK)Ministerio de Ciencia e Innovación (España)Agencia Estatal de Investigación (España)European Research CouncilUniversidad de La CoruñaRodríguez Martínez, Xabier [0000-0002-6715-4392]Campoy Quiles, Mariano [0000-0002-8911-640X]Martin, Jaime [0000-0002-9669-7273]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/396074https://api.elsevier.com/content/abstract/scopus_id/105007688381reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##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/PID2021-126243NB-I00info:eu-repo/grantAgreement/EC/HE/101086805info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001263-Sinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-128924OB-I00info:eu-repo/grantAgreement/MICINN/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/TED2021-131911B-I00Journal of Materials Chemistry Chttp://doi.org/10.1039/d5tc01473eSíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3960742026-05-22T06:33:51Z
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