Open AccessDFT based first principles study of novel combinations of perovskite-type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications
Author(s) -
R.M. Arif Khalil,
Shafqat Hayat,
Muhammad Iqbal Hussain,
Anwar Manzoor Rana,
Fayyaz Hussain
Publication year - 2021
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/5.0037790
Subject(s) - density functional theory , hydrogen storage , lattice constant , band gap , fermi level , density of states , fermi energy , hydrogen , ferromagnetism , materials science , perovskite (structure) , chemistry , electronic band structure , condensed matter physics , computational chemistry , crystallography , physics , optoelectronics , diffraction , optics , quantum mechanics , organic chemistry , electron
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