First-principles study of the paths of the decomposition reaction of LiBH4

Molecular Physics

Volumn 108, Issue 10, 2010, Pages 1263-1276

  Caputo, Riccarda ^a   Zuttel, Andreas ^a  

^a SWISS FEDERAL LABORATORIES FOR MATERIALS SCIENCE AND TECHNOLOGY   (Switzerland)

Author keywords

DFT calculations; Hydrogen storage; Lithium borides; Lithium borohydride; Lithium tetraborate

Indexed keywords

DFT CALCULATION; DFT CALCULATIONS; LITHIUM BORIDE; LITHIUM BOROHYDRIDE; LITHIUM TETRABORATE;

BORIDES; DENSITY FUNCTIONAL THEORY; FREE ENERGY; GIBBS FREE ENERGY; HYDROGEN; LITHIUM; LITHIUM COMPOUNDS; PYROLYSIS; REACTION KINETICS;

HYDROGEN STORAGE;

EID: 77953485840     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903580141     Document Type: Article

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