Density Fu nctional T heory Stu dy of Sulfur Dioxid e Adsorption on the Internal and External of the Single-Wall Carbon Nanotubes

Experimentally t he electronic propertie s of SWCN Ts can be appreciably altered by the presen ce of adsor bed molecu les [۱]. The interactio n of various gas molecules with carbon nanot ubes has been investigated in several recent theoretical studies [۲, ۳].

کلیدواژه ها:

Sulfur Dioxide (SO۲) ، Single-wall carbon nanotube (SWCNT) ، Adso rption energ y ، Density fu nctional the ory (DFT)