Hydrogen storage on graphene sheet: Physisorption, diffusion and chemisorbed pathways by first principles calculations

Archives of Metallurgy and Materials

Volumn 57, Issue 4, 2012, Pages 1075-1080

  Costanzo, F ^a,b   Silvestrelli, P L ^a,b   Ancilotto, F ^a,b  

^a UNIVERSITY OF PADOVA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

Density functional theory; First principles; Physisorption and chemisorption

Indexed keywords

C-C BONDS; C-H BOND; CLEAN ENERGY SOURCES; FIRST PRINCIPLE CALCULATIONS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GRAPHENE SHEETS; H2 MOLECULE; HOLLOW SITES; HYDROGEN ATOMS; HYDROGEN ENERGY; HYDROGEN MOLECULE; INEXPENSIVE MEANS; PHYSISORBED; PHYSISORBED STATE; REACTION PATHWAYS; VAN DER WAALS INTERACTION; WANNIER FUNCTIONS;

ATOMS; BINDING ENERGY; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; HYDROGEN STORAGE; MOLECULES; PHYSISORPTION; VAN DER WAALS FORCES; CALCULATIONS; GRAPHENE;

GRAPHENE; HYDROGEN STORAGE;

EID: 84874074373     PISSN: 17333490     EISSN: None     Source Type: Journal    
DOI: 10.2478/v10172-012-0119-z     Document Type: Article

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