Open AccessTheoretical research on the electronic structure and transport properties of nitrogen doping chiral carbon nanotubes
Author(s) -
Yan Wei,
Huifang Hu,
Zhiyong Wang,
Caiping Cheng,
Chen Nan-Ting,
Xie Neng
Publication year - 2011
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.60.027307
Subject(s) - carbon nanotube , materials science , doping , carbon fibers , chemical physics , impurity , electronic structure , semiconductor , optical properties of carbon nanotubes , nitrogen , selective chemistry of single walled nanotubes , non equilibrium thermodynamics , nanotechnology , computational chemistry , nanotube , thermodynamics , organic chemistry , chemistry , optoelectronics , composite material , physics , composite number
Using density functional theory and nonequilibrium Greens function, the electronic structure and transport properties of chiral (6, 3) single-walled carbon nanotubes substituted by nitrogen atoms were investigated. The results show that the configurations and the concentration of the doped atoms have complicated effects on the transport properties of the chiral single-walled carbon nanotubes. The electronic structures of the carbon nanotubes are changed obviously. The transportation properties are degraded by the doping of nitrogen atoms and change significantly with the positions of impurity atoms in the structure. The currents-voltage curve shows nonlinear variation. Under certain conditions the metallic single-walled carbon nanotubes may be converted into semiconductors.