The catalytic effect of Nb, NbO and Nb2O5 with different surface planes on dehydrogenation in MgH2: Density functional theory study

Journal of Alloys and Compounds

Volumn 580, Issue SUPPL1, 2013, Pages

  Takahashi, Keisuke ^a   Isobe, Shigehito ^a   Ohnuki, Somei ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Atomic clusters; Density functional theory; Hydrogen storage; MgH2

Indexed keywords

ADSORPTION ENERGIES; ATOMIC CLUSTERS; CATALYTIC EFFECTS; DENSITY FUNCTIONAL THEORY STUDIES; DISSOCIATION BARRIER; ELECTRON PAIRING; MGH2; STRONG INTERACTION;

ADSORPTION; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYDROGEN STORAGE;

NIOBIUM OXIDE;

EID: 84886589742     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.02.044     Document Type: Article

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