Role of vacancies and transition metals on the thermodynamic properties of MgH2: Ab-initio study
Soufiane Bahou, H. Labrim, H. Ez‐Zahraouy
Topics & Concepts
Magnesium hydrideMagnesiumEnthalpyHydrogenChemical stabilityTransition metalHydrogen storageAb initioThermodynamicsDecompositionDopingAb initio quantum chemistry methodsChemistryMaterials sciencePhysical chemistryMetallurgyMoleculeCatalysisPhysicsBiochemistryOrganic chemistryOptoelectronicsHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysAmmonia Synthesis and Nitrogen Reduction