期刊
PHYSICAL REVIEW B
卷 61, 期 24, 页码 16343-16346出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.61.R16343
关键词
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Classical molecular dynamics simulations are used to model the bombardment of a bundle of single walled carbon nanotubes by CH3 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.
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