First principles investigation on carbon nanostructures functionalized with borane: An analysis on their hydrogen storage capacity

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 43, Issue 8, 2011, Pages 1528-1534

  Surya, V J ^a   Iyakutti, K ^a   Prasanna Venkatesh, V ^a   Mizuseki, H ^b   Kawazoe, Y ^b  

^a MADURAI KAMARAJ UNIVERSITY   (India)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AVERAGE BINDING ENERGY; CARBON ATOMS; CARBON NANOSTRUCTURES; CHARGE-INDUCED DIPOLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; FUNCTIONALIZATIONS; FUNCTIONALIZED; GRAPHITIC MATERIALS; HYDROGEN MOLECULE; HYDROGEN STORAGE CAPACITIES; HYDROGEN STORAGE MEDIUM; ORGANIC SCAFFOLDS; REVERSIBLE ADSORPTION; VAN DER WAALS INTERACTIONS;

ADSORPTION; BINDING ENERGY; GRAPHENE; HYDROGEN; MOLECULES; NANOSTRUCTURES; SCAFFOLDS; SINGLE-WALLED CARBON NANOTUBES (SWCN); STORAGE (MATERIALS); VAN DER WAALS FORCES;

HYDROGEN STORAGE;

EID: 79957609687     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2011.05.003     Document Type: Article

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