First-principles calculation of dehydrogenating properties of MgH 2-V systems

Science in China, Series E: Technological Sciences

Volumn 49, Issue 2, 2006, Pages 129-136

  Zhou, Dianwu ^a   Peng, Ping ^a   Liu, Jinshui ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Dehydrogenating properties; Electronic structure; First principles calculation; MgH2

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; DEHYDROGENATION; ELECTRONIC STRUCTURE; NANOSTRUCTURED MATERIALS; NUCLEATION; PROBABILITY DENSITY FUNCTION; VANADIUM ALLOYS;

DEHYDROGENATING PROPERTIES; FIRST-PRINCIPLES CALCULATION; MAGNESIUM HYDRIDES;

MAGNESIUM COMPOUNDS;

EID: 33750185127     PISSN: 10069321     EISSN: 1862281X     Source Type: Journal    
DOI: 10.1007/s11431-006-0129-z     Document Type: Article

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