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41 works

Work: A comprehensive DFT study of KBO3 (K = Mg, Ca, Sr) ternary oxides for sustainable and efficient photocatalytic water splitting applications

  1. Electrochemical Photolysis of Water at a Semiconductor Electrode

    Akira Fujishima, Kenichi Honda

    Article197229 citations
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  2. Absolute electronegativity and hardness: application to inorganic chemistry

    Ralph G. Pearson

    Article198811 citations
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  3. Analysis of XGaO3 (X = Ba and Cs) cubic based perovskite materials for photocatalytic water splitting applications: a DFT study

    Abdullah M. Asiri, Muhammad Khuram Shahzad, Shoukat Hussain +5

    Article20236 citations
    ABI

  4. Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

    Muhammad Khuram Shahzad, Syed Taqveem Mujtaba, Shoukat Hussain +5

    Article20225 citations
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  5. First-principles calculations to investigate structural, electronics, mechanical, and optical properties of KGaO3 cubic perovskite for photocatalytic water-splitting application

    Shoukat Hussain, Jalil Ur Rehman

    Article20235 citations
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  6. Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation

    Hudabia Murtaza, Qurat Ul Ain, Junaid Munir +4

    Article20244 citations
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  7. Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies

    Hudabia Murtaza, Quratul Ain, Junaid Munir +4

    Article20244 citations
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  8. First-principles calculation to investigate structural, electronic, optical, and thermodynamics properties of perovskite KXO3 (K Ta and Zn) alloys for photovoltaic and smart window applications

    Shoukat Hussain, Jalil Ur Rehman

    Article20243 citations
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    Other3 citations
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  10. Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa<sub>2</sub>M<sub>3</sub>O<sub>10</sub>(M = Ta, Nb): a DFT study

    Ehsan Zahedi, Mirabbos Hojamberdiev, Maged F. Bekheet

    Article20153 citations
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  11. Predictions on new Cu-based ABO3 (A=Cu and B=Lu, Y) oxide-perovskite for energy storage and optoelectronic applications: A DFT study

    Nazia Bibi, Muhammad Usman, Shahzadi Noreen

    Article20243 citations
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