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Ish: Computational quantum hydrogen storage properties of novel double perovskite Na2BeCdH6 hydrides: Structural, elastic, electronics, mechanical, and thermodynamics frontiers of comprehensive DFT study

  1. First principle investigation of tungsten based cubic oxide perovskite materials for superconducting applications: A DFT study

    Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Umair Farooq +4

    Maqola20237 iqtibos
    ABI

  2. 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

    MaqolaOchiq kirish20236 iqtibos
    ABI

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

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

    MaqolaOchiq kirish20225 iqtibos
    ABI

  4. RETRACTED: First-principles calculations to investigate structural, electronic, elastic and optical properties of radium based cubic fluoro-perovskite materials

    Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Umair Farooq +7

    MaqolaOchiq kirish20235 iqtibos
    ABI

  5. Lithium-based perovskites materials for photovoltaic solar cell and protective rays window applications: a first-principle calculations

    Muhammad Khuram Shahzad, Syed Taqveem Mujtaba, Shoukat Hussain +7

    MaqolaOchiq kirish20235 iqtibos
    ABI

  6. 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

    Maqola20235 iqtibos
    ABI

  7. First-principles investigation for the hydrogen storage properties of XTiH3 (X=K, Rb, Cs) perovskite type hydrides

    Nanlin Xu, Yan Chen, Shanjun Chen +2

    Maqola20234 iqtibos
    ABI

  8. A DFT study of structural, electronic, mechanical, phonon, thermodynamic, and H2 storage properties of lead-free perovskite hydride MgXH3(X=Cr, Fe, Mn)

    Zia Ur Rehman, Muhammad Awais Rehman, Bushra Rehman +4

    Maqola20234 iqtibos
    ABI

  9. RETRACTED: Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R K and Li) for smart window applications: A DFT study

    Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Riaz +5

    MaqolaOchiq kirishPerovskite Materials and ApplicationsHeliyon20244 iqtibos
    ABI

  10. Synthesis and decomposition of perovskite-type hydrides, MMgH3 (M = Na, K, Rb)

    Kenji Komiya, N. Morisaku, R. Rong +4

    Maqola20073 iqtibos
    ABI

  11. Chemical looping steam reforming of bio-oil for hydrogen-rich syngas production: Effect of doping on LaNi0.8Fe0.2O3 perovskite

    Chenlong Liu, Dong Chen, Jangam Ashok +5

    Maqola20203 iqtibos
    ABI

  12. First‐principle investigation of <scp>XSrH<sub>3</sub></scp> (X = K and Rb) perovskite‐type hydrides for hydrogen storage

    Hafiz Hamid Raza, G. Murtaza, Umm‐e‐Hani +2

    Maqola20203 iqtibos
    ABI

  13. Ab-initio calculations for the study of the hydrogen storage properties of CsXH3 (X= Co, Zn) perovskite-type hydrides

    Waqar Azeem, Muhammad Khuram Shahzad, Yew Hoong Wong +1

    MaqolaOchiq kirish20233 iqtibos
    ABI

  14. Lithium doping in Na-based double perovskite for hydrogen storage and improving their optoelectrronic properties: First-principles investigation

    Tianyu Tang, Yan-Lin Tang

    Maqola20243 iqtibos
    ABI

  15. DFT-based first-principles calculations of new NaXH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si92.svg" display="inline" id="d1e792"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> (X = Ti, Cu) hydride compounds for hydrogen storage applications

    S. Bahhar, Abdellah Tahiri, A. Jabar +3

    Maqola20243 iqtibos
    ABI

  16. 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

    Maqola20243 iqtibos
    ABI

  17. Study of double perovskite materials RbX2Y3O10 (X Mg, Ca, Y Ti, Zr) for photocatalytic applications: A DFT insights

    Shoukat Hussain, Jalil Ur Rehman, Abid Hussain +2

    Maqola20243 iqtibos
    ABI

  18. Computational insights of double perovskite X2CaCdH6 (X = Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis

    Waqar Azeem, Shoukat Hussain, Muhammad Khuram Shahzad +7

    MaqolaOchiq kirish20243 iqtibos
    ABI

  19. DFT based first principles study of novel combinations of perovskite-type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications

    R.M. Arif Khalil, Shafqat Hayat, Muhammad Iqbal Hussain +2

    MaqolaOchiq kirish20213 iqtibos
    ABI

  20. DFT analysis of the physical properties of direct band gap semiconducting double perovskites A <sub>2</sub> BIrCl <sub>6</sub> (A = Cs, Rb; B = Na, K) for solar cells and optoelectronic applications

    Md. Tarekuzzaman, Nazmul Shahadath, Mufrat Montasir +5

    MaqolaOchiq kirish20253 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  22. Formation process of perovskite-type hydride LiNiH3: <i>In situ</i> synchrotron radiation X-ray diffraction study

    Ryutaro Sato, Hiroyuki Saitoh, Naruki Endo +4

    Maqola20132 iqtibos
    ABI

  23. Ab initio calculations study of the electronic, optical and thermodynamic properties of NaMgH3, for hydrogen storage

    Youcef Bouhadda, Y. Boudouma, Nour-eddine Fennineche +1

    Maqola20102 iqtibos
    ABI

  24. Formation of perovskite-type hydrides and thermal desorption processes in Ca–T–H (T= 3d transition metals)

    Kazutaka Ikeda, Shinichi Kato, Kenji Ohoyama +3

    Maqola20062 iqtibos
    ABI

  25. Crystal Chemistry of Perovskite-Type Hydride NaMgH<sub>3</sub>: Implications for Hydrogen Storage

    Hui Wu, Wei Zhou, Terrence J. Udovic +2

    Maqola20082 iqtibos
    ABI