Ab initio investigation of oxygen adsorption on the stability of carbon nanotube field effect transistors (CNTFETs)

The influence of oxygen on carbon nanotube field effect transistors (CNTFETs) produced by the charge transfer doping technique, using triethyloxonium hexachloroantimonate ([ (C2H5)3O]+[SbCl6]−) is reported. Using ab initio density functional theory (DFT), it is suggested that the adsorption of oxygen on the surface of a functionalized carbon nanotube (CNT) could influence both the chemical and electrical stability of this device. Reduced doping is also observed as a consequence of the oxygen adsorption, which could possibly result in a small increase in the Schottky barrier height (SBH) at the metal (source and drain) electrodes.