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Ish: A Computational Study of the Role of Switching the Transition Metal Cation in Novel RhAO3 (A = Hf and Ti) Perovskites for Thermoelectric Applications

  1. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    MaqolaOchiq kirish202416 iqtibos
    ABI

  2. Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2

    Maqola202414 iqtibos
    ABI

  3. 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

    MaqolaPerovskite Materials and ApplicationsChemical Physics202413 iqtibos
    ABI

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

    Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor +4

    Maqola202413 iqtibos
    ABI

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

    Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum +3

    Maqola202413 iqtibos
    ABI

  6. 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

    Qiguo Xiao, Abrar Nazir, Ejaz Ahmad Khera +5

    Maqola202411 iqtibos
    ABI

  7. Improving the efficiency of FP-LAPW calculations

    Max Petersen, Frank R. Wagner, Lars Hufnagel +3

    MaqolaOchiq kirish20008 iqtibos
    ABI

  8. Chemical Structures and Performance of Perovskite Oxides

    M.A. Peña, J.L.G. Fierro

    Sharh maqola20018 iqtibos
    ABI

  9. A Simple Derivation of the Birch–Murnaghan Equations of State (EOSs) and Comparison with EOSs Derived from Other Definitions of Finite Strain

    Tomoo Katsura, Yoshinori Tange

    MaqolaOchiq kirish20197 iqtibos
    ABI

  10. 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

    MaqolaChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials20256 iqtibos
    ABI

  11. Figure of merit ZT of a thermoelectric device defined from materials properties

    G. Jeffrey Snyder, Alemayouh H. Snyder

    Maqola20176 iqtibos
    ABI

  12. A DFT Approach to Insight on the Structural, Optoelectronic and Thermoelectric Properties of Cubic Perovskites YXO3 (X = Ga, In) for Renewable Energy Applications

    Khalid A. Alrashidi, Aparna Dixit, Abrar Nazir +5

    Maqola20246 iqtibos
    ABI

  13. A DFT Insight on the physical, optoelectronic and thermoelectric characteristics of half-Heusler NaZn(N/P) compounds for power generation applications

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4

    Maqola20256 iqtibos
    ABI

  14. First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF<sub>3</sub> (X = Ru, Os)

    Jehan Y. Al‐Humaidi, Javed Iqbal, Abdullah Abdullah +9

    MaqolaOchiq kirishPerovskite Materials and ApplicationsACS Omega20235 iqtibos
    ABI

  15. Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps

    Tilak Das, Giovanni Di Liberto, Gianfranco Pacchioni

    MaqolaOchiq kirish20225 iqtibos
    ABI

  16. Recent progress in stabilizing hybrid perovskites for solar cell applications

    Jianqing Chen, Xin Cai, Donghui Yang +7

    MaqolaOchiq kirish20175 iqtibos
    ABI

  17. Cauchy pressure and the generalized bonding model for nonmagnetic bcc transition metals

    Mark E. Eberhart, Travis E. Jones

    Maqola20124 iqtibos
    ABI

  18. From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives

    Zewen Xiao, Zhaoning Song, Yanfa Yan

    Sharh maqola20194 iqtibos
    ABI

  19. A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6

    Jisha Annie Abraham, Debidatta Behera, K. Bueala Kumari +3

    Maqola20224 iqtibos
    ABI

  20. Analysis of reflectance data using the Kramers-Kronig Relations

    Peter Große, V. Offermann

    Maqola19914 iqtibos
    ABI

  21. Insight into pressure tunable structural, electronic and optical properties of "Equation missing" via DFT calculations

    Malak Azmat Ali, Rehan Ullah, Shah Murad +4

    Maqola20203 iqtibos
    ABI

  22. Recent advances in solar photovoltaic materials and systems for energy storage applications: a review

    Modupeola Dada, A.P.I. Popoola

    Sharh maqola20233 iqtibos
    ABI

  23. Relationship between thermoelectric figure of merit and energy conversion efficiency

    Hee Seok Kim, Weishu Liu, Gang Chen +2

    Maqola20153 iqtibos
    ABI

  24. Advanced Thermoelectric Design: From Materials and Structures to Devices

    Xiao‐Lei Shi, Jin Zou, Zhi‐Gang Chen

    Sharh maqola20202 iqtibos
    ABI

  25. Impact of structural distortion on electronic and magnetic properties of La2MnVO6 double perovskite: An ab initio approach

    Aiswarya Priyambada, Priyadarshini Parida

    Maqola20242 iqtibos
    ABI