Binding of a fluorine atom to the sidewall of single-walled carbon nanotubes

Abstract

The chemisorption problem of a single fluorine atom on the outer surface of zigzag single-walled carbon nanotubes (SWCNTs) is treated within the Anderson-Newns approach, which takes account of the intra-atomic electron interaction on the adatom. We demonstrate systematic trends in the chemisorption energy ΔE of a fluorine atom as a function of the nanotube radius for both the metallic and semiconducting SWCNTs (p,0) with p ranging from 5 to 15. It is found that, in general, larger ΔE values are associated with the semiconducting tubes. © 2007 Springer.