Effects of oxygen adsorption on the electronic structure and optical properties of single-wall carbon nanotubes
氧吸附对单壁碳纳米管的电子结构和光学性能的影响

The binding energy,energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory. The most stable adsorption site is the one in which the oxygen molecule lies above the center of the carbon ring. It is showed that the oxygen physical adsorption strongly affects the transport properties and the optical absorption spectra of carbon nanotubes. And the phenomenon of oxygen photoinduced desorption has been explained theoretically.