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9 works

Work: Theoretical Engineering of Structural, Electronic, and Optical Characteristics of Double Perovskite Sr2XWO6 (X = Co, Zn) for Optical Devices

  1. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    ArticlePerovskite Materials and ApplicationsChemical Physics202411 citations
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  2. Role of Anion Variation in Physical Properties of Novel Vacancy Ordered Ga2PtX6 (X = Br and I) for Solar Cell and Thermoelectric Applications

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +5

    ArticleChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials20256 citations
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  3. DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

    Aparna Dixit, Arti Saxena, Mumtaz Manzoor +6

    ArticleAdvanced Thermoelectric Materials and DevicesJournal of Inorganic and Organometallic Polymers and Materials20252 citations
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  4. A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications

    Anjali Kumari, Ali B.M. Ali, Jisha Annie Abraham +5

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20251 citations
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  5. A DFT study of Alkaline-earth-metal-doped Hf1 − xAxO2(A = Be, Mg, Ca) for photovolataic applications

    Abrar Nazir, Ali B.M. Ali, Ejaz Ahmad Khera +7

    ArticleElectronic and Structural Properties of OxidesJournal of Electroceramics20251 citations
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  6. Probing the physical attributes of calcium-based perovskites for ACaI3 (A = Li and Na) perovskites for next-generation renewable energy devices via TB-mBJ approach

    Abrar Nazir, Refka Ghodhbani, Ejaz Ahmad Khera +5

    ArticlePerovskite Materials and ApplicationsJournal of Electroceramics20251 citations
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  7. 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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  8. A Computational Study of the Role of Switching the Transition Metal Cation in Novel RhAO3 (A = Hf and Ti) Perovskites for Thermoelectric Applications

    Abrar Nazir, Ejaz Ahmad Khera, Sattam Al Otaibi +3

    ArticleAdvanced Thermoelectric Materials and DevicesJournal of Electronic Materials20260 citations
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  9. Density Functional Theory Analysis on the Multifunctional Attributes of Narrow Bandgap Half-Heusler alloys NiHfZ (Z = Si and Ge) via TB-mBJ Approach

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +6

    ArticleHeusler alloys: electronic and magnetic propertiesSilicon20260 citations
    ABI