Molecular modification of spiro[fluorene-9,90- xanthene]-based dopant-free hole transporting materials for perovskite solar cells

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dc.contributor.authorKumar, Vinay
dc.contributor.authorKumar, Deepak
dc.contributor.authorChavan, Rohit D.
dc.contributor.authorKumar, Kodali Phani
dc.contributor.authorYadagiri, Bommaramoni
dc.contributor.authorAns, Muhammad
dc.contributor.authorKruszyńska, Joanna
dc.contributor.authorMahapatra, Apurba
dc.contributor.authorNawrocki, Jan
dc.contributor.authorNikiforow, Kostiantin
dc.contributor.authorMrkyvkova, Nada
dc.contributor.authorSiffalovic, Peter
dc.contributor.authorYadav, Pankaj
dc.contributor.authorAkin, Seckin
dc.contributor.authorSingh, Surya Prakash
dc.contributor.authorProchowicz, Daniel
dc.contributor.organizationDepartment of Polymer and Functional Material, CSIR-Indian Institute of Chemical Technology (IICT), Tarnaka, Hyderabad, Indiaen
dc.contributor.organizationAcademy of Scientific and Innovative Research (AcSIR), Ghaziabad, Indiaen
dc.contributor.organizationInstitute of Physical Chemistry, Polish Academy of Sciencesen
dc.contributor.organizationInstitute of Physics, Slovak Academy of Sciences, Bratislava, Slovakiaen
dc.contributor.organizationCenter for Advanced Materials and Applications, Slovak Academy of Sciences, Bratislava, Slovakiaen
dc.contributor.organizationDepartment of Solar Energy, School of Energy Technology, Pandit Deendayal Energy University, Gandhinagar, Gujarat, Indiaen
dc.contributor.organizationDepartment of Physics, School of Energy Technology, Pandit Deendayal Energy University, Gandhinagar, Gujarat, Indiaen
dc.contributor.organizationDepartment of Metallurgical and Materials Engineering, Necmettin Erbakan University, Konya, Turkeyen
dc.date.accessioned2024-04-03T07:13:47Z
dc.date.available2024-04-03T07:13:47Z
dc.date.issued2024-02-20
dc.description.abstractThe molecular engineering of organic hole-transporting materials (HTMs) plays an important role in enhancing the performance and stability of perovskite solar cells (PSCs) as well as reducing their fabrication cost. Here, two low-cost spiro-OMeTAD analogues, namely SP-Naph and SP-SMe, featuring a spiro[fluorene-9,9-xanthene] (SFX) central core and asymmetric subunits are designed and synthesized. Specifically, the SFX core in the SP-Naph molecule is substituted with dimethoxyphenylnaphthylamine subunits to enhance conductivity and charge transport properties by expansion of the p-conjugated structure. On the other hand, in the molecular structure of SP-SMe, the methoxy groups (–OMe) from diphenylamine units were partially replaced with the methylsulfanyl groups (–SMe) to increase interaction with the perovskite surface through the “Lewis soft” S atoms. By combining various experimental and simulation methods, thestructure–property relationship of the newly synthesized HTMs was thoroughly investigated. The suitable HOMO energy level with the perovskite layer together with superior photoelectric properties and enhanced thermostability and humidity resistivity are obtained for the SP-SMe HTM. As a result, the planar n–i–p PSC with the dopant-free SP-SMe HTM yields a maximum power conversion efficiency (PCE) of 21.95%, which outperforms that with SP-Naph (20.51%) and doped spiro-OMeTAD (19.23%). Importantly, the device with SP-SMe also reveals enhanced operational stability under continuous 1 sun illumination and thermal stability at 65 °C. These findings provide valuable insight for the rational design of dopant-free organic HTMs based on the SFX core, which would promote the development of highly efficient and stable devices.en
dc.description.sponsorshipNational Science Centre
dc.identifier.citationJ. Mater. Chem. A, 2024, 12, 8370. DOI https://doi.org/10.1039/D3TA07851Een
dc.identifier.doi10.1039/D3TA07851E
dc.identifier.urihttps://open.icm.edu.pl/handle/123456789/24134
dc.language.isoen
dc.publisherRoyal Society of Chemistryen
dc.relationSONATA BIS 10, no. 2020/38/ E/ST5/00267en
dc.rightsUznanie autorstwa-Użycie niekomercyjne 4.0 Międzynarodowe*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.subjectperovskite solar cellsen
dc.subjecthole transporting layeren
dc.subjectefficiencyen
dc.titleMolecular modification of spiro[fluorene-9,90- xanthene]-based dopant-free hole transporting materials for perovskite solar cellsen
dc.typearticleen
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