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Work: Density functional theory based modelling on the physical properties of CsInAgAsX6 (X = Cl, Br) double perovskite for green energy applications

  1. A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications

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    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20251 citations
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  2. Probing the physical properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach

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    ArticlePerovskite Materials and ApplicationsNew Journal of Chemistry20251 citations
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  3. Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

    Sarika Bajpai, Ali B.M. Ali, Preeti Kumari +6

    ArticleHeusler alloys: electronic and magnetic propertiesPolyhedron20250 citations
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  4. Tailoring the Optoelectronic and Thermoelectric Properties of Lead‐Free Double Perovskites K <sub>2</sub> NaBiZ <sub>6</sub> (Z = Br, I) for Renewable Energy Applications: A First‐Principles Density Functional Theory Investigation

    Aparna Dixit, Jisha Annie Abraham, Kaneez Fatima +6

    ArticlePerovskite Materials and ApplicationsEnergy Technology20250 citations
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