First-principles study of hydrogen adsorption on titanium-decorated single-layer and bilayer graphenes

Chinese Physics B

Volumn 22, Issue 6, 2013, Pages

  Pan, Hong Zhe ^a,b   Wang, Yong Long ^a   He, Kai Hua ^b   Wei, Ming Zhen ^a   Ouyang, Yu ^a   Chen, Li ^a  

^a LINYI UNIVERSITY   (China)

^b CHINA UNIVERSITY OF GEOSCIENCES   (China)

Author keywords

density functional theory; grapheme; hydrogen storage; titanium

Indexed keywords

ADSORPTION ENERGIES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; GRAPHEME; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; RELATIVISTIC EFFECTS; TITANIUM-DECORATED;

DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDROGEN; HYDROGEN STORAGE; MOLECULES; PHYSISORPTION; TITANIUM;

GRAPHENE;

EID: 84880547307     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/22/6/067101     Document Type: Article

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