A theoretical study of the electronic structure and bonding of the monoclinic phase of Mg2 NiH4

International Journal of Hydrogen Energy

Volumn 32, Issue 18, 2007, Pages 4943-4948

  Jasen, Paula V ^a   González, Estela A ^a   Brizuela, Graciela ^a   Nagel, Oscar A ^a   González, Gustavo A ^a   Juan, Alfredo ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

DFT; Electronic structure; Hydride; Mg2 NiH4

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYDRIDES; HYDROGEN STORAGE; PARAMETER ESTIMATION; PHASE EQUILIBRIA;

DENSITY OF STATES; MONOCLINIC PHASE; PRINCIPAL BONDING INTERACTION;

MAGNESIUM COMPOUNDS;

EID: 36549049465     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2007.08.011     Document Type: Article

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