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

  1. Theoretical prediction of perovskite ARH3 (A = K, Li, Rb; R Ca, Sr) hydride materials for hydrogen storage applications: A DFT investigation

    Yi Song, Muhammad Khuram Shahzad, Shoukat Hussain +7

    ArticleHydrogen Storage and MaterialsInternational Journal of Hydrogen Energy20241 citations
    ABI

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

    Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf +6

    ArticleHydrogen Storage and MaterialsMaterials Today Communications20250 citations
    ABI