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9 works

Work: Probing the opto-electronic, thermoelectric, thermodynamic and elastic responses of lead-free double perovskite Li2ATlCl6 (A = Na and K) for potential photovoltaic and high- energy applications: A DFT study

  1. 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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  2. 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

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  3. Exploring the Multifunctional Properties of Novel Full-Heusler AcCuZ2 (Z = Se, Te) for High-Efficiency Photovoltaic and Renewable Energy Technologies

    Abrar Nazir, Aparna Dixit, Ali B.M. Ali +7

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of Electronic Materials20251 citations
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  4. 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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  5. 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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  6. 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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  7. 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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  8. Unveiling the Multifunctional Features of Cs <sub>2</sub> LiMoX <sub>6</sub> (X = Cl and Br) for Green Energy Applications: A DFT Study

    Ibad Ur Rehman, Ali B. M. Ali, Ejaz Ahmad Khera +6

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of the American Ceramic Society20260 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