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12 works

Work: First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications

  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. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    ArticleAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 citations
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  3. Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications

    Abrar Nazir, Arti Saxena, Ejaz Ahmad Khera +5

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20257 citations
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  4. 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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  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 properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach

    Nazia Erum, Ramesh Sharma, Abhinav Kumar +3

    ArticlePerovskite Materials and ApplicationsNew Journal of Chemistry20251 citations
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  7. 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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  8. 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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  9. 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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  10. Unveiling the structural stability, optoelectronic and thermoelectric features of NaXI <sub>3</sub> (X=Sr, Be) halide perovskite for optoelectronic and green energy technology

    Yüjia Luo, Qiong Peng, Abrar Nazir +9

    ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics B20250 citations
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  11. 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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  12. 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
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