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RESEARCH PAPER · Applied Physics A · 2022

Spontaneous polarization study in A3+B4+(O2N)7− and A2+B5+(O2N)7− perovskite-type oxynitrides: a first principles investigation

Khadidja Djebari, Ameur Dahani, Mostefa Djermouni, Khaled Dine, Abdelhamid Cherifi, Omar Arbouche, A. Zaoui, Salima Kacimi

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Spontaneous polarization study in A3+B4+(O2N)7− and A2+B5+(O2N)7− perovskite-type oxynitrides: a first principles investigationOriginalFirst-principles study on the structural, electronic, elastic, optical and thermodynamic properties of double antiperovskites X6BiSbN2 (X = Mg, Ca, Sr)28Ab initio study of electronic, elastic, thermodynamic, photocatalytic properties of double antiperovskite, Cs 6 AgBiX 2 (X = Cl, Br, I)15Exploring photocatalytic, thermoelectric, and SLME efficiency of photovoltaic absorber layers for halide double antiperovskites K 6 NaAsX 2 (X = Cl, Br, I): a first-principles approach5High-entropy perovskites as new photocatalysts for cocatalyst-free water splitting25

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  1. First-principles study on the structural, electronic, elastic, optical and thermodynamic properties of double antiperovskites X6BiSbN2 (X = Mg, Ca, Sr)

    Journal of Physics and Chemistry of Solids · 2023-12-28

    Hua-Xu Gao, De‐Yuan Hu, Tian‐Yu Tang, Qi-Qi Liang, Qi Dai, Shi-Quan Wu, Yan-Lin Tang

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  2. Ab initio study of electronic, elastic, thermodynamic, photocatalytic properties of double antiperovskite, Cs 6 AgBiX 2 (X = Cl, Br, I)

    RSC Advances · 2024-01-01

    Laraib Sajid, M. Usman Saeed, S. H. Mashadi, S. Sheryar Abid, Shamiala Pervaiz, Zeeshan Ali, Yousef Mohammed Alanazi, Aziz-Ur-Rahim Bacha, Yasir Saeed

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  3. Exploring photocatalytic, thermoelectric, and SLME efficiency of photovoltaic absorber layers for halide double antiperovskites K 6 NaAsX 2 (X = Cl, Br, I): a first-principles approach

    RSC Advances · 2025-01-01

    Munawar Saeed, Irslan Saeed, Shahan Ali, Ahmed Ali Khan, M. Zia ur Rehman, Shamiala Pervaiz, Parvaiz Ahmad, Hosam O. Elansary, Sohail Mumtaz, Yasir Saeed

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  4. High-entropy perovskites as new photocatalysts for cocatalyst-free water splitting

    Applied Catalysis B: Environmental · 2025-10-15

    Ho Truong Nam Hai, Makoto Arita, Kaveh Edalati

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