Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Tuning the electronic dimensionality and bandgap in Cs2AgBiX6 (X = Br, Cl) for photovoltaic applications: a DFT-1/2 study of cation disorder Description An account of the resource Nontoxic, stable, and experimentally realized lead-free halide double perovskites, Cs2AgBiX6 (X = Br, Cl), attracted much attention for solar cell applications. However, their reduced electronic dimensionality and indirect (wide) bandgap, limiting solar energy absorption efficiency, are not mostly suitable. To address such issues, we employ the computationally efficient DFT-1/2 + SOC method to study the electronic structure of cation-ordered and cation-disordered materials comparatively. Our study explores the impact of cation disorder in tuning the electronic dimensionality, demonstrating how the disorder effect reduces bandgaps, increases solar energy absorption, enhances band dispersion, and decreases carrier effective masses for better photovoltaic performance. We observe an evolution of the electronic dimensionality in the disordered systems, influencing the carrier effective masses and absorption properties. Fractional (and non-integer) electronic dimensionality appears to be an essential concept in understanding the optoelectronic properties. The direct bandgap, high absorption in the desired energy range, and mostly lower effective masses of the disordered systems make them suitable for solar cell applications. 2024 The Royal Society of Chemistry. Creator An entity primarily responsible for making the resource Vadagavi V.R.; Jafri R.I.; Menon K.S.R.; Mandal S. Source A related resource from which the described resource is derived Physical Chemistry Chemical Physics, Vol-26, No. 47, pp. 29595-29603. Publisher An entity responsible for making the resource available Royal Society of Chemistry Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1039/d4cp03808h" target="_blank" rel="noreferrer noopener">https://doi.org/10.1039/d4cp03808h</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85210140700&amp;doi=10.1039%2Fd4cp03808h&amp;partnerID=40&amp;md5=5e34d8a7eae33f097f7e4f1d4e43519a" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85210140700&amp;doi=10.1039%2fd4cp03808h&amp;partnerID=40&amp;md5=5e34d8a7eae33f097f7e4f1d4e43519a</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 14639076; PubMed ID: 39588679; CODEN: PPCPF Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Vadagavi V.R., Department of Physics and Electronics, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Jafri R.I., Department of Physics and Electronics, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Menon K.S.R., Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, HBNI, 1/AF Bidhannagar, Kolkata, 700064, India; Mandal S., Department of Physics, Sabang Sajanikanta Mahavidyalaya, Lutunia, West Bengal, 721166, India