Electronic structure and stability of new FCC magnesium hydrides Mg7MH16 and Mg6MH16 (M = Ti, V, Nb): An ab initio study

International Journal of Hydrogen Energy

Volumn 35, Issue 5, 2010, Pages 2025-2032

  Shelyapina, M G ^a   Fruchart, D ^b   Wolfers, P ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; AUGMENTED PLANE-WAVE METHOD; DESORPTION KINETICS; DISSOCIATION TEMPERATURE; HEAT OF FORMATION; HYDROGEN ABSORPTION; HYDROGEN DESORPTION; HYDROGEN KINETICS; MAGNESIUM HYDRIDE; NEW HYDRIDES; PROMISING MATERIALS; RELATIVE STABILITIES; THEORETICAL STUDY; TYPE STRUCTURES;

CALCIUM; DESORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GERMANIUM; HOUSING; HYDRIDES; HYDROGEN; MAGNESIUM; METAL VAPOR LAMPS; THERMOCHEMISTRY; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

HYDROGEN STORAGE;

EID: 75549083805     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2009.12.171     Document Type: Article

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