Cu(II) and Ni(II) Phthalocyanine-Based Hole-Transporting Materials for Stable Perovskite Solar Cells with Efficiencies Reaching 20.0%

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dc.authoridDEMIRCIOGLU, Perihan Kubra/0000-0001-9077-5990
dc.authoridLabella Santodomingo, Jorge/0000-0001-5665-2778
dc.authoridAsiri, Abdullah/0000-0001-7905-3209
dc.authoridCalbo, Joaquin/0000-0003-4729-0757
dc.authoridOrti, Enrique/0000-0001-9544-8286
dc.authoridNazeeruddin, Mohammad Khaja/0000-0001-5955-4786
dc.authoridTorres, Tomas/0000-0001-9335-6935
dc.contributor.authorXia, Jianxing
dc.contributor.authorLabella, Jorge
dc.contributor.authorDemircioglu, Perihan Kubra
dc.contributor.authorPerez-Escribano, Manuel
dc.contributor.authorCalbo, Joaquin
dc.contributor.authorOrti, Enrique
dc.contributor.authorInce, Mine
dc.date.accessioned2025-03-17T12:27:40Z
dc.date.available2025-03-17T12:27:40Z
dc.date.issued2024
dc.departmentTarsus Üniversitesi
dc.description.abstractHerein, Cu(II)Pcs and Ni(II)Pcs peripherally tetra-functionalized with 5-hexylthiophene (HT), 5-hexyl-2,2 '-bithiophene (HBT), and tertbutyl groups (TB) are readily synthesized and employed as hole-transporting materials (HTMs) in mixed-ion perovskite ([FAPbI3]0.85[MAPbBr3]0.15) solar cells, achieving power conversion efficiencies (PCEs) up to 20.0%. Remarkably, both the peripheral functionalization and the central metal are found to play a role in the performance. Through a combination of experimental and theoretical techniques, it is found that the simplest HTM, TB-CuPc, is the best-performing HTM primarily due to its higher hole mobility and a more appropriate highest-occupied molecular orbital, whose enables efficient hole extraction without open-circuit voltage (Voc)losses. This derivative leads to PCEs of 19.96%, which are among the highest values for Pc-based HTMs. Importantly, devices incorporating these HTMs present significantly higher stability compared to those based on spiro-OMeTAD. The results here presented pave the way for more realistic, efficient, and inexpensive photovoltaic devices using phthalocyanine derivatives. Herein, Cu(II)Pcs and Ni(II)Pcs peripherally tetra-functionalized with 5-hexylthiophene (HT), 5-hexyl-2,2'-bithiophene (HBT), and tertbutyl groups (TB) are readily synthesized and employed as hole-transporting materials in mixed-ion perovskite ([FAPbI3]0.85[MAPbBr3]0.15) solar cells, achieving power conversion efficiencies up to 20.0%.image (c) 2024 WILEY-VCH GmbH
dc.description.sponsorshipSpanish MCIN/AEI (MCIN/AEI) [PID2020-116490GB-I00, PID2020-119748GA-I00, PID2021-128569NB-I00, TED2021-131255B-C43, TED2021-131255B-C44, CEX2019-000919-M]; Spanish MCIN/AEI (ERDF A way of making Europe); Comunidad de Madrid [MAD2D-CM (UAM1)-MRR]; Generalitat Valenciana [MFA/2022/017]; MCIN; European Union NextGenerationEU [PRTR-C17.I1]; Comunidad de Madrid; The Severo Ochoa Programme for Centres of Excellence in RD (MINECO) [SEV2016-0686]; Alexander von Humboldt Foundation (Germany) [3.3-1231125 - ESP-GSA]; MECD, Spain; Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia; MCIN/AEI [PRE2021-097082]; ESF Investing in your future
dc.description.sponsorshipJ.X. and J.L. contributed equally to this work. Financial support from the Spanish MCIN/AEI (Projects PID2020-116490GB-I00, PID2020-119748GA-I00, PID2021-128569NB-I00, TED2021-131255B-C43 and C44, and CEX2019-000919-M, funded by MCIN/AEI/10.13039/501100011033 and by ERDF A way of making Europe), the Comunidad de Madrid (MAD2D-CM (UAM1)-MRR), and the Generalitat Valenciana (MFA/2022/017) is fully acknowledged. The MAD2D-CM (UAM1)-MRR and MFA/2022/017 projects are part of the advanced materials program supported by the MCIN with funding from the European Union NextGenerationEU (PRTR-C17.I1) and by the Comunidad de Madrid and Generalitat Valenciana, respectively. IMDEA Nanociencia acknowledges support from the Severo Ochoa Programme for Centres of Excellence in R&D (MINECO, grant no. SEV2016-0686). T.T. also acknowledges the Alexander von Humboldt Foundation (Germany) for the A. v. Humboldt - J. C. Mutis Research Award 2023 (Ref 3.3-1231125 - ESP-GSA). J.L. acknowledges MECD, Spain, for a F.P.U. Fellowship. M.P.-E. acknowledges the PRE2021-097082 grant funded by MCIN/AEI and ESF Investing in your future. J.X., M.K.N., and A.M.A. acknowledge Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia, project no. 526 and 425.
dc.identifier.doi10.1002/solr.202400371
dc.identifier.issn2367-198X
dc.identifier.issue16
dc.identifier.scopus2-s2.0-85198615690
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1002/solr.202400371
dc.identifier.urihttps://hdl.handle.net/20.500.13099/2385
dc.identifier.volume8
dc.identifier.wosWOS:001269498500001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofSolar Rrl
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250316
dc.subjecthole-transporting materials
dc.subjectperovskite solar cells
dc.subjectphotovoltaics
dc.subjectphthalocyanines
dc.titleCu(II) and Ni(II) Phthalocyanine-Based Hole-Transporting Materials for Stable Perovskite Solar Cells with Efficiencies Reaching 20.0%
dc.typeArticle

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