Effects of nitrogen substitutional doping on the electronic transport of carbon nanotube

We have studied the effects of nitrogen substitutional doping on the transport properties of single-wall carbon nanotube (8, 0) using density functional theory and non-equilibrium Green's functions. The results reveal that the nanotube changes from the semiconducting to the quasi-metallic state because of the dopants, and their structures strongly dominate their electrical properties. Our calculations indicate that transport properties of the doped nanotubes are sensitive not only to the concentration of nitrogen atoms but also to their distribution. The doping effects on the electronic transport of the carbon nanotube are discussed. (C) 2007 Elsevier B.V. All rights reserved.