Density functional calculations of structural and electronic properties of a BN-doped carbon nanotube

Carbon

Volumn 48, Issue 1, 2010, Pages 176-183

  Krainara, N ^a,b   Nokbin, S ^a,b   Khongpracha, P ^a,b   Bopp, Ph A ^c   Limtrakul, J ^a,b  

^a Laboratory for Computational and Applied Chemistry   (Thailand)

^b KASETSART UNIVERSITY   (Thailand)

^c UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITIES OF STATE; DENSITY-FUNCTIONAL CALCULATIONS; DOPED CARBONS; ELECTRON DENSITIES; NITROANILINES; NUCLEOPHILIC GROUPS; PROBE MOLECULES; QUANTUM-MECHANICAL CALCULATION; SINGLE-WALL CARBON NANOTUBES;

AMINO ACIDS; BINDING ENERGY; CARBON NANOTUBES; DIAMOND FILMS; ELECTRONIC PROPERTIES; ENERGY GAP; NITROGEN COMPOUNDS; ORGANIC POLYMERS; PROBES; PYRIDINE; SINGLE-WALLED CARBON NANOTUBES (SWCN); SOLIDS;

ANILINE;

EID: 70350134720     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2009.09.001     Document Type: Article

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