Please use this identifier to cite or link to this item: http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/8566
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dc.contributor.authorHASSAN, NAHIDen_US
dc.contributor.authorNagaraja, Suneethaen_US
dc.contributor.authorSAHA, SAUVIKen_US
dc.contributor.authorTarafder, Karticken_US
dc.contributor.authorBALLAV, NIRMALYAen_US
dc.date.accessioned2024-02-29T09:18:20Z-
dc.date.available2024-02-29T09:18:20Z-
dc.date.issued2024-02en_US
dc.identifier.citationChemical Scienceen_US
dc.identifier.issn2041-6539en_US
dc.identifier.urihttps://doi.org/10.1039/D3SC06255Den_US
dc.identifier.urihttp://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/8566-
dc.description.abstractThe everlasting pursuit of hybrid organic–inorganic lead-free semiconductors has directed the focus towards eco-friendly copper-based systems, perhaps because of the diversity in chemistry, controlling the structure–property relationship. In this work, we report single crystals of a Cu(I) halide-based perovskite-like organic–inorganic hybrid, (TMA)Cu2Br3, (TMA = tetramethylammonium), consisting of unusual one-dimensional inorganic anionic chains of –(Cu2Br3)–, electrostatically stabilized by organic cations, and the Cu(I)–Cu(I) distance of 2.775 Å indicates the possibility of cuprophilic interactions. X-ray photoelectron spectroscopy measurements further confirmed the presence of exclusive Cu(I) in (TMA)Cu2Br3 and electronic structure calculations based on density functional theory suggested a direct bandgap value of 2.50 eV. The crystal device demonstrated an impressive bulk photovoltaic effect due to the emergence of excitonic Cu(I)–Cu(I) interactions, as was clearly visualized in the charge-density plot as well as in the Raman spectroscopic analysis. The single crystals of a silver analogue, (TMA)Ag2Br3, have also been synthesized revealing a Ag(I)–Ag(I) distance of 3.048 Å (signature of an argentophilic interaction). Unlike (TMA)Cu2Br3, where more density of states from Cu compared to Br near the Fermi level was observed, (TMA)Ag2Br3 exhibited the opposite trend, possibly due to variation in the ionic potential influencing the overall bonding scenario.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.subjectHalide Perovskitesen_US
dc.subjectOptical-Propertiesen_US
dc.subjectComplexesen_US
dc.subject2024-FEB-WEEK3en_US
dc.subjectTOC-FEB-2024en_US
dc.subject2024en_US
dc.titleExcitonic cuprophilic interactions in one-dimensional hybrid organic–inorganic crystalsen_US
dc.typeArticleen_US
dc.contributor.departmentDept. of Chemistryen_US
dc.identifier.sourcetitleChemical Scienceen_US
dc.publication.originofpublisherForeignen_US
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