Stability of the hydrides REMgNi4H4 (RE = Y, Gd) from first principles

International Journal of Hydrogen Energy

Volumn 35, Issue 15, 2010, Pages 7858-7865

  Roquefere, Jean Gabriel ^a   Matar, Samir F ^b   Bobet, Jean Louis ^b  

^a UNIVERSITÉ DU QUÉBEC À TROIS RIVIÈRES   (Canada)

^b UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

DFT; Hydride stability; Hydrogen location; Hydrogen storage; VASP

Indexed keywords

DFT; EQUATION OF STATE; FIRST-PRINCIPLES; HYDROGEN ATOMS; LAVES PHASE HYDRIDES; ORTHORHOMBIC CONFIGURATION; RELATIVE STABILITIES; VASP;

EQUATIONS OF STATE; GADOLINIUM; HYDRIDES; HYDROGEN;

HYDROGEN STORAGE;

EID: 77955509372     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2010.05.091     Document Type: Article

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