The effects of nitrogen substitutional doping, of Stone-Wales defects, upon the transport properties of single-walled nanotubes were simulated by using density functional theory and non-equilibrium Green’s functions. It was found that the nitrogen in Stone-Wales defects produced a half-filled band near to the Fermi level in which the electron effective mass varied with a change in the position of nitrogen. The total transmission coefficients near to the Fermi level increased, and the others decreased, after doping. The nitrogen-doping and Stone-Wales defects enhanced the transport properties of semiconducting (8,0) nanotubes and weakened that of quasi-metallic (9,0) nanotubes.

Effects of Nitrogen in Stone-Wales Defect on the Electronic Transport of Carbon Nanotube. J.Wei, H.Hu, H.Zeng, Z.Wang, L.Wang, P.Peng: Applied Physics Letters, 2007, 91[9], 092121