Energetics of the lithium-magnesium imide-magnesium amide and lithium hydride reaction for hydrogen storage: An ab initio study

Materials Science and Engineering: B

Volumn 140, Issue 1-2, 2007, Pages 114-122

  Velikokhatnyi, Oleg I ^a   Kumta, Prashant N ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Enthalpy of formation; Heat of the reaction; Hydrogen storage materials

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENTHALPY; HYDROGEN STORAGE; PARAMETER ESTIMATION; VIBRATIONAL SPECTRA;

AB INITIO CALCULATIONS; FINITE TEMPERATURE; HEAT OF REACTION; STRUCTURAL PARAMETERS;

LITHIUM COMPOUNDS;

EID: 34250673132     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2007.04.010     Document Type: Article

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