Classical molecular dynamics simulations are used to model the bombardment of a bundle of single walled carbon nanotubes by (Formula presented) radicals impacting with incident energies of 10, 45, and 80 eV. The simulations show that there is a high probability of adhesion of either the radicals or their fragments to the nanotube walls at all the incident energies considered. They therefore predict a pathway to the chemical functionalization of the walls of carbon nanotubes. The simulations also show how at 80 eV the incident radicals can induce cross-linking between the nanotubes.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - 2000|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics