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Иш: 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

    Мақола20236 иқтибос
    ABI

  2. 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

    Мақола20235 иқтибос
    ABI

  3. 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

    Мақола20235 иқтибос
    ABI

  4. 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

    Мақола20235 иқтибос
    ABI

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

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

    Мақола20224 иқтибос
    ABI

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

    Nanlin Xu, Yan Chen, Shanjun Chen +2

    Мақола20234 иқтибос
    ABI

  7. 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

    Мақола20234 иқтибос
    ABI

  8. 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

    МақолаPerovskite Materials and ApplicationsHeliyon20244 иқтибос
    ABI

  9. 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

    Мақола20234 иқтибос
    ABI

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

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

    Мақола20073 иқтибос
    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

    Мақола20203 иқтибос
    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

    Мақола20203 иқтибос
    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

    Мақола20233 иқтибос
    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

    Мақола20243 иқтибос
    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

    Мақола20243 иқтибос
    ABI

  16. 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

    Мақола20243 иқтибос
    ABI

  17. 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

    Мақола20243 иқтибос
    ABI

  18. 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

    Мақола20213 иқтибос
    ABI

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

    Ryutaro Sato, Hiroyuki Saitoh, Naruki Endo +4

    Мақола20132 иқтибос
    ABI

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

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

    Мақола20102 иқтибос
    ABI

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

    Kazutaka Ikeda, Shinichi Kato, Kenji Ohoyama +3

    Мақола20062 иқтибос
    ABI

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

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

    Мақола20082 иқтибос
    ABI

  23. Structure, thermal analysis and dehydriding kinetic properties of Na 1−x Li x MgH 3 hydrides

    Zhongmin Wang, Jiajun Li, Song Tao +3

    Мақола20152 иқтибос
    ABI

  24. Investigation of structural, mechanical, electronic, optical, and dynamical properties of cubic BaLiF<sub>3</sub>, BaLiH<sub>3</sub>, and SrLiH<sub>3</sub>

    Battal G. Yalçın, Bahadır Salmankurt, S. Duman

    Мақола20162 иқтибос
    ABI

  25. Structural, electronic, elastic, and thermal properties of CaNiH <sub>3</sub> perovskite obtained from first-principles calculations

    S. Benlamari, H. Bendjeddou, R. Boulechfar +6

    Мақола20182 иқтибос
    ABI