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An extensive study of structural, electronic, elastic, mechanical and optical properties of XCdH3 (X=K, Rb) for hydrogen storage applications: First-principles approach

Muhammad Usman GhaniInstitute of Physics, Khwaja Fareed of Engineering and Information Technology, Rahim Yar Khan, 64200, Punjab, PakistanMuhammad SagirInstitute of Chemical and Environmental Engineering, Khwaja Fareed of Engineering and Information Technology, Rahim Yar Khan, 64200, Punjab, PakistanMuhammad Bilal TahirInstitute of Physics, Khwaja Fareed of Engineering and Information Technology, Rahim Yar Khan, 64200, Punjab, PakistanSami UllahDepartment of Chemistry, College of Science, King Khalid University, Abha, 61413, Saudi ArabiaMohammed A. AssiriDepartment of Chemistry, College of Science, King Khalid University, Abha, 61413, Saudi Arabia
2023en
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