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 RehmanDepartment of Mathematics, Namal University, 30 Km Talagang Road, 42250, Mianwali, PakistanMuhammad Awais RehmanInstitute of Physics, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, PakistanBushra RehmanDepartment of Environmental Sciences, Quaid-i-Azam University, Islamabad, 45320, PakistanMahnoor AmjadDepartment of Mathematics, Namal University, 30 Km Talagang Road, 42250, Mianwali, PakistanMuhammad AwaisDepartment of Mathematics, Namal University, 30 Km Talagang Road, 42250, Mianwali, PakistanIqra IqbalDepartment of Mathematics, Namal University, 30 Km Talagang Road, 42250, Mianwali, PakistanAnam RafiqueDepartment of Mathematics, Namal University, 30 Km Talagang Road, 42250, Mianwali, Pakistan
2023en
ABI
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