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Иш: First-principles quantum mechanical calculations of physical characteristics of oxides perovskite A2BaMoO6 (A = Li, K, and Cs) materials for efficient photocatalytic technological applications

  1. Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study

    Abderrazak Boutramine, Samah Al‐Qaisi, Saidi Samah +6

    Мақола20249 иқтибос
    ABI

  2. Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba<sub>2</sub>InTaO<sub>6</sub>

    Sajad Ahmad Dar, Ramesh Sharma, Vipul Srivastava +1

    Мақола20199 иқтибос
    ABI

  3. First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology

    Nasir Rahman, Mudasser Husain, Younas Ahmad +13

    Мақола20246 иқтибос
    ABI

  4. Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications

    Jitendra Kumar Bairwa, Monika Rani, Peeyush Kumar Kamlesh +6

    Мақола20235 иқтибос
    ABI

  5. First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6

    Samah Al‐Qaisi, Muhammad Mushtaq, Jamila S. Alzahrani +7

    Мақола20225 иқтибос
    ABI

  6. Effect of Anion on Optoelectronic and Thermoelectric Properties Cubic Double Perovskites A2(Sr, Ba)WMgO6 for Low-Cost Energy Technologies: A Computational Simulation Study

    Muhammad Aslam, Zubair Waseem, Muhammad Mahadi Abdul Jamil +5

    Мақола20245 иқтибос
    ABI

  7. Investigating the structural, electronic, and optical properties of the novel double perovskite K2AgBiI6 using DFT

    Mohamed Karouchi, Abdelkebir Ejjabli, Omar Bajjou +5

    Мақола20245 иқтибос
    ABI

  8. Computational Exploration of Structural, Elastic, Optoelectronic and Magnetic Properties of A2YHgCl6 (A = Cs, K) Using Enhanced Computational Techniques

    Kiran Riaz, Nidhal Drissi, Sahar Abdalla +7

    Мақола20255 иқтибос
    ABI

  9. Highly efficient and stable Ra2LaNbO6 double perovskite for energy conversion device applications

    Jitendra Kumar Bairwa, Peeyush Kumar Kamlesh, Upasana Rani +5

    Мақола20234 иқтибос
    ABI

  10. First-principles calculations to investigate structural, elastic, optical, and thermoelectric properties of narrow band gap semiconducting cubic ternary fluoroperovskites barium based BaMF3 (M = Ag and Cu) compounds

    Nasir Rahman, Mudasser Husain, Sattam Al Otaibi +6

    Мақола20224 иқтибос
    ABI

  11. First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites

    Shaukat Ali Khattak, Saikh Mohammad Wabaidur, Md Ataul Islam +9

    Мақола20224 иқтибос
    ABI

  12. Computational Prediction on the Stability, Opto-electronic and Thermoelectric Properties of Double Perovskite Compound Sr2CrBiO6: a First Principles Investigation

    Jisha Annie Abraham, Mumtaz Manzoor, Ramesh Sharma +4

    Мақола20244 иқтибос
    ABI

  13. Inspecting the structural stability, magneto-opto-electronic, and transport characteristics of half-metallic ferromagnets double perovskite oxide (Sr2MoSbO6): A DFT study

    Nazia Iram, Dalia Fouad, Ramesh Sharma +1

    Мақола20244 иқтибос
    ABI

  14. Rare earth-based oxides double perovskites A2NiMnO6 (A= La and gd): Applications in magneto-caloric, photo-catalytic and thermoelectric devices

    Monika Rani, Peeyush Kumar Kamlesh, Sunil Kumawat +4

    Мақола20233 иқтибос
    ABI

  15. Investigation of lead-free direct bandgap Ca<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si13.svg" display="inline" id="d1e887"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>MAsO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si14.svg" display="inline" id="d1e895"><mml:msub><mml:mrow/><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:math> (M=Ga, In) double perovskites for optoelectronic and thermoelectric applications: A first principles study

    Abu Raihan, Mohammad Abdur Rashid, Mashnon Hasan Fahim +2

    Мақола20243 иқтибос
    ABI

  16. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  17. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  18. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  19. Rationalization of Double Perovskite Oxides as Energy Materials: A Theoretical Insight from Electronic and Optical Properties

    Manasa G. Basavarajappa, Sudip Chakraborty

    Шарҳ мақола20223 иқтибос
    ABI

  20. Unveiling the potential of CuAl<sub>x</sub>Ga<sub>1−x</sub>Se<sub>2</sub> (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties

    Soufyane Belhachi, Mohammed Benali Kanoun, Souraya Goumri‐Said

    Мақола20243 иқтибос
    ABI

  21. Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach

    Masoofa Akhtar, Faisal Katib Alanazi, Muhammad Sajid +10

    Мақола20253 иқтибос
    ABI

  22. Comprehensive exploration of rare-earth chalcogenides: A DFT-based investigation into their optoelectronic, elastic, thermomechanical and magnetic properties for advanced functional and high-temperature applications

    Soufyane Belhachi, Saidi Samah, Sahar Abdalla +4

    Мақола20253 иқтибос
    ABI

  23. K<sub>2</sub><scp>AlInZ</scp><sub>6</sub> (Z = F, Cl, Br) Double Perovskites: Potential Candidates for Optoelectronic and Photovoltaic Devices

    Samah Saidi, Soufyane Belhachi, Sahar Abdalla +7

    Мақола20253 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI