Open AccessEffects of oxygen adsorption on the electronic structure and optical properties of single-wall carbon nanotubes
Author(s) -
Liang Junwu,
Huifang Hu,
Jianwei Wei,
Ping Peng
Publication year - 2005
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.54.2877
Subject(s) - carbon nanotube , adsorption , oxygen , materials science , desorption , molecule , chemical physics , binding energy , absorption (acoustics) , density functional theory , carbon fibers , electronic band structure , absorption spectroscopy , electronic structure , nanotechnology , chemistry , atomic physics , computational chemistry , optics , composite material , organic chemistry , condensed matter physics , physics , composite number
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 th at 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.