Theoretical calculation of hydrogen desorption energies of calcium hydride clusters

International Journal of Hydrogen Energy

Volumn 37, Issue 4, 2012, Pages 3767-3771

  Dixit, Deepesh Kumar ^a   Gandhi, Krishna ^a   Dixit, Brajesh Kumar ^a  

^a Bipin Behari PG College   (India)

Author keywords

Calcium hydride clusters; Desorption energies; DFT calculations; Hydrogen storage

Indexed keywords

BULK BEHAVIOR; CALCIUM HYDRIDE; CLUSTER SIZES; DESORPTION ENERGIES; DESORPTION ENERGY; DFT CALCULATION; GROUND STATE GEOMETRY; HYDROGEN DESORPTION; HYDROGEN STORAGE MEDIUM; QUATERNARY COMPLEXES; TERNARY COMPLEX; THEORETICAL CALCULATIONS;

DENSITY FUNCTIONAL THEORY; DESORPTION; HYDRIDES; HYDROGEN; HYDROGEN STORAGE; MOLECULAR DYNAMICS;

CALCIUM;

EID: 84856587969     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.06.004     Document Type: Conference Paper

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