Density functional study of the adsorption and separation of hydrogen in single-walled carbon nanotube

International Journal of Hydrogen Energy

Volumn 29, Issue 5, 2004, Pages 465-473

  Gu, Chong ^a   Gao, Guang Hua ^a   Yu, Yang Xin ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Computer simulation; Density functional theory; Hydrogen; Separation

Indexed keywords

ADSORPTION; BINARY MIXTURES; CARBON MONOXIDE; COMPUTER SIMULATION; HYDROGEN; MIXTURES; PROBABILITY DENSITY FUNCTION; SEPARATION;

DENSITY FUNCTIONAL THEORY (DFT); HELMHOLTZ ENERGY DENSITY;

CARBON NANOTUBES;

EID: 0842288113     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0360-3199(03)00131-9     Document Type: Article

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