Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells

Interfacial passivation employing 2D Ti3C2 MXenes has proved to be an excellent strategy to optimize band alignment and passivate defects, leading to the reduction of non-radiative recombination in Perovskite Solar Cells (PSCs). Here in, the synthesis and functionalization of Ti3C2 MXene are reporte...

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Autores: Karimipour, Masoud, Oliveras, Nil Monrós, Tian, Zhenchuan, Salutari, Francesco, Spadaro, Maria Chiara, Zhang, Tiankai, Vahedigharehchopogh, Naji, Arbiol, Jordi, Gao, Feng, Lira-Cantú, Mónica
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/410367
Acesso em linha:http://hdl.handle.net/10261/410367
https://api.elsevier.com/content/abstract/scopus_id/105013466220
Access Level:acceso abierto
Palavra-chave:MXene
Impedance spectroscopy
Interfacial passivation
Operational stability
Perovskite solar cells
Trap density
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dc.title.none.fl_str_mv Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
title Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
spellingShingle Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
Karimipour, Masoud
MXene
Impedance spectroscopy
Interfacial passivation
Operational stability
Perovskite solar cells
Trap density
title_short Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
title_full Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
title_fullStr Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
title_full_unstemmed Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
title_sort Me-4PACz Functionalized MXene for Halide Perovskite Solar Cells
dc.creator.none.fl_str_mv Karimipour, Masoud
Oliveras, Nil Monrós
Tian, Zhenchuan
Salutari, Francesco
Spadaro, Maria Chiara
Zhang, Tiankai
Vahedigharehchopogh, Naji
Arbiol, Jordi
Gao, Feng
Lira-Cantú, Mónica
author Karimipour, Masoud
author_facet Karimipour, Masoud
Oliveras, Nil Monrós
Tian, Zhenchuan
Salutari, Francesco
Spadaro, Maria Chiara
Zhang, Tiankai
Vahedigharehchopogh, Naji
Arbiol, Jordi
Gao, Feng
Lira-Cantú, Mónica
author_role author
author2 Oliveras, Nil Monrós
Tian, Zhenchuan
Salutari, Francesco
Spadaro, Maria Chiara
Zhang, Tiankai
Vahedigharehchopogh, Naji
Arbiol, Jordi
Gao, Feng
Lira-Cantú, Mónica
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Agencia Estatal de Investigación (España)
Ministerio de Ciencia e Innovación (España)
Generalitat de Catalunya
Universidad Autónoma de Barcelona
Ministerio de Economía y Competitividad (España)
Swedish Energy Agency
European Commission
Karimipour, Masoud [0000-0002-6619-4798]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv MXene
Impedance spectroscopy
Interfacial passivation
Operational stability
Perovskite solar cells
Trap density
topic MXene
Impedance spectroscopy
Interfacial passivation
Operational stability
Perovskite solar cells
Trap density
description Interfacial passivation employing 2D Ti3C2 MXenes has proved to be an excellent strategy to optimize band alignment and passivate defects, leading to the reduction of non-radiative recombination in Perovskite Solar Cells (PSCs). Here in, the synthesis and functionalization of Ti3C2 MXene are reported with the [4-(3,6-Dimethyl-9H-carbazol-9-yl)butyl]phosphonic acid molecule (MXene:Me-4PACz), which is proved by XRD and HRTEM-EELS analyses. Its application at the interface between the halide perovskite (HP) and the Spiro-OMeTAD in normal configuration PSCs, results in the enhancement of indoor and outdoor stability. The MXene:Me-4PACz nanomaterial is obtained in the form of nanoneedles, which, applied in complete PSCs, resulted in a power conversion efficiency (PCE) of ≈21.5%, in comparison with the control device with ≈20.1%. The modified device showed a T88 operational stability obtained at 1000 h for ISOS-L-1 and T50 at ≈1000 h for ISOS-O-2. While, all the control devices degraded 55% after 1000 h under ISOS-L and almost 100% after 900 h under ISOS-O-2. Characterization analyses indicate that the efficiency and stability enhancement is due to the improved energy band alignment and charge extraction, to the increased perovskite surface hydrophobicity, and the significant reduction of deep and shallow trap states.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
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/10261/410367
https://api.elsevier.com/content/abstract/scopus_id/105013466220
url http://hdl.handle.net/10261/410367
https://api.elsevier.com/content/abstract/scopus_id/105013466220
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
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The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1002/advs.202509898
https://doi.org/10.1002/advs.202509898
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dc.publisher.none.fl_str_mv John Wiley & Sons
publisher.none.fl_str_mv John Wiley & Sons
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
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spelling Me-4PACz Functionalized MXene for Halide Perovskite Solar CellsKarimipour, MasoudOliveras, Nil MonrósTian, ZhenchuanSalutari, FrancescoSpadaro, Maria ChiaraZhang, TiankaiVahedigharehchopogh, NajiArbiol, JordiGao, FengLira-Cantú, MónicaMXeneImpedance spectroscopyInterfacial passivationOperational stabilityPerovskite solar cellsTrap densityInterfacial passivation employing 2D Ti3C2 MXenes has proved to be an excellent strategy to optimize band alignment and passivate defects, leading to the reduction of non-radiative recombination in Perovskite Solar Cells (PSCs). Here in, the synthesis and functionalization of Ti3C2 MXene are reported with the [4-(3,6-Dimethyl-9H-carbazol-9-yl)butyl]phosphonic acid molecule (MXene:Me-4PACz), which is proved by XRD and HRTEM-EELS analyses. Its application at the interface between the halide perovskite (HP) and the Spiro-OMeTAD in normal configuration PSCs, results in the enhancement of indoor and outdoor stability. The MXene:Me-4PACz nanomaterial is obtained in the form of nanoneedles, which, applied in complete PSCs, resulted in a power conversion efficiency (PCE) of ≈21.5%, in comparison with the control device with ≈20.1%. The modified device showed a T88 operational stability obtained at 1000 h for ISOS-L-1 and T50 at ≈1000 h for ISOS-O-2. While, all the control devices degraded 55% after 1000 h under ISOS-L and almost 100% after 900 h under ISOS-O-2. Characterization analyses indicate that the efficiency and stability enhancement is due to the improved energy band alignment and charge extraction, to the increased perovskite surface hydrophobicity, and the significant reduction of deep and shallow trap states.The authors give thanks to the Spanish State Research Agency for the grant PerMXSol (PID2022-143344OB-I00). This work was part of the project PCI2020-112185, granted by MCIN/AEI/10.13039/501100011033 project and the “NextGenerationEU”/PRTR. To the OrgEnergy Excelence Network (CTQ2016-81911- REDT), to the Agencia de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) for the support to the consolidated Catalonia research group 2021 SGR 01617 and the Xarxa d'R+D+I Energy for Society (XRE4S). Part of this work was under Materials Science Ph.D. Degree for Z.T. of the Universitat Autonoma de Barcelona (UAB, Spain). ICN2 was supported by the Severo Ochoa program from Spanish MINECO (grant no. European Union SEV-2017-0706) and was funded by the CERCA Programme/Generalitat de Catalunya. The ICN2 was supported by the Severo Ochoa Centres of Excellence programme, Grant CEX2021-001214-S, funded by MCIN/AEI/10.13039.501100011033. The authors thank the Spanish MINECO through the Severo Ochoa Centers of Excellence Program under grant no. SEV-2017-0706 for the postdoctoral contract to M.K. and the PhD scholarship PRE2022-000291 granted to Z.T. F.G. would also like to thank the supporting fund from the Swedish Energy Agency (P2022-00756). ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. This study is part of the Advanced Materials program and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S) and is funded by the CERCA Programme / Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program. The authors thank funding from Horizon Europe through the PathFinder Open project SOLARUP (project number 101046297). ICN2 is a founding member of e-DREAM.With funding from the Spanish government through the "Severo Ochoa Centre of Excelence" accreditation (CEX2021-001214-S)Peer reviewedJohn Wiley & SonsAgencia Estatal de Investigación (España)Ministerio de Ciencia e Innovación (España)Generalitat de CatalunyaUniversidad Autónoma de BarcelonaMinisterio de Economía y Competitividad (España)Swedish Energy AgencyEuropean CommissionKarimipour, Masoud [0000-0002-6619-4798]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/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/410367https://api.elsevier.com/content/abstract/scopus_id/105013466220reponame: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/PID2022-143344OB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PCI2020-112185info:eu-repo/grantAgreement/AEI//SEV-2017-0706info:eu-repo/grantAgreement/EC/HE/101046297info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/CEX2021-001214-SThe underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1002/advs.202509898https://doi.org/10.1002/advs.202509898Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/4103672026-05-22T06:33:51Z
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