Chemical functionalization of carbon nanotubes through energetic radical collisions

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Abstract

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 languageEnglish (US)
Pages (from-to)R16343-R16346
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume61
Issue number24
DOIs
StatePublished - Jan 1 2000

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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