Doping effects of B and N on hydrogen adsorption in single-walled carbon nanotubes through density functional calculations

Carbon

Volumn 44, Issue 5, 2006, Pages 939-947

  Zhou, Zhen ^a,b   Gao, Xueping ^a   Yan, Jie ^a   Song, Deying ^a  

^a NANKAI UNIVERSITY   (China)

^b NAGOYA UNIVERSITY   (Japan)

Author keywords

Adsorption properties; Carbon nanotubes; Doped carbons; Electronic structure; Modeling

Indexed keywords

ADSORPTION; CARBON NANOTUBES; ELECTRONIC STRUCTURE; HYDROGEN; PROBABILITY DENSITY FUNCTION; RINGS (COMPONENTS);

ADSORPTION PROPERTIES; DOPED CARBONS; MODELING; SINGLE-WALLED CARBON NANOTUBES (SWNTS);

DOPING (ADDITIVES);

EID: 30344482223     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2005.10.016     Document Type: Article

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