Theoretical research on the electronic structure and transport properties of nitrogen doping chiral carbon nanotubes
氮掺杂手性碳纳米管的电子结构和输运特性的理论研究

Using density functional theory and nonequilibrium Green's 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 b...