Theoretical studies on hydrogen adsorption properties of lithium decorated diborene (B2H4Li2) and diboryne (B 2H2Li2)

International Journal of Hydrogen Energy

Volumn 36, Issue 24, 2011, Pages 15681-15688

  Srinivasu, K ^a   Ghosh, Swapan K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Ab initio calculation; Alkali metal decorated boranes; Hydrogen adsorption

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ADSORPTION ENERGIES; BORON HYDRIDES; CATIONIC SITES; DIANIONS; DOUBLE BONDS; GRAVIMETRIC DENSITY; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; ION-INDUCED DIPOLE INTERACTION; LITHIUM IONS; MOLECULAR HYDROGEN; QUANTUM CHEMICAL CALCULATIONS; REPEATING UNIT; THEORETICAL STUDY; TRIPLE BONDS;

ACETYLENE; BINDING ENERGY; BINDING SITES; BORON; BORON COMPOUNDS; CALCULATIONS; CHEMICAL STABILITY; ETHYLENE; GAS ADSORPTION; HYDRIDES; HYDROGEN; IONS; MOLECULAR PHYSICS; NANOWIRES; QUANTUM CHEMISTRY; LITHIUM ALLOYS;

LITHIUM;

EID: 80054837665     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.08.119     Document Type: Article

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