Physisorption, diffusion, and chemisorption pathways of H 2 molecule on graphene and on (2,2) carbon nanotube by first principles calculations

Journal of Chemical Theory and Computation

Volumn 8, Issue 4, 2012, Pages 1288-1294

  Costanzo, Francesca ^a,b   Silvestrelli, Pier Luigi ^a,b   Ancilotto, Francesco ^a,b  

^a UNIVERSITY OF PADOVA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84859562765     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300143a     Document Type: Article

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