Adsorption of hydrogen molecules on the alkali metal ion decorated boric acid clusters: A density functional theory investigation

International Journal of Hydrogen Energy

Volumn 36, Issue 6, 2011, Pages 3922-3931

  Prakash, M ^a   Elango, M ^a   Subramanian, V ^a  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

Adsorption; Alkali metal ion; Boric acid clusters; DFT(B3LYP); Hydrogen storage

Indexed keywords

A-DENSITY; B3LYP METHOD; BASIS SETS; BORIC ACID CLUSTERS; BORIC ACIDS; DFT(B3LYP); GRAVIMETRIC DENSITY; HYDROGEN MOLECULE; HYDROGEN STORAGE CAPACITIES;

BINDING ENERGY; BORIDE COATINGS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDROGEN; INORGANIC ACIDS; METAL IONS; METALS; PHYSISORPTION; SHEET METAL; STORAGE (MATERIALS);

HYDROGEN STORAGE;

EID: 79952447664     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2010.12.067     Document Type: Article

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