First-principles calculations on the structure and electronic properties of boron doping zigzag single-walled carbon nanotubes

Science in China, Series E: Technological Sciences

Volumn 52, Issue 5, 2009, Pages 1219-1224

  Wen, Qingbo ^a   Yu, Shansheng ^a   Zheng, Weitao ^a,b  

^a JILIN UNIVERSITY   (China)

^b Jilin University   (China)

Author keywords

B; Doping; Electronic structures; Formation energy; Nanotube

Indexed keywords

AB-INITIO; ACCEPTOR STATE; B; BONDING STRUCTURES; BORON ATOMS; BORON-DOPING; DOPING; FIRST-PRINCIPLES CALCULATIONS; FORMATION ENERGY; IMPURITY ATOMS; NANO-DOMAINS; SINGLE-WALLED; TUBE DIAMETERS; ZIGZAG CARBON NANOTUBES;

ATOMS; BORON; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SINGLE-WALLED CARBON NANOTUBES (SWCN);

CARBON NANOTUBES;

EID: 67349173272     PISSN: 10069321     EISSN: 1862281X     Source Type: Journal    
DOI: 10.1007/s11431-008-0163-0     Document Type: Article

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