Argon-Beam-Induced Defects in a Silica-Supported Single-Walled Carbon Nanotube

AD Bobadilla and JM Seminario, JOURNAL OF PHYSICAL CHEMISTRY C, 118, 28299-28307 (2014).

DOI: 10.1021/jp5098074

Ion beams can be used to tailor the structure and properties of carbon nanostructures. Using molecular dynamics simulations, we explored the effects of irradiating silica-supported single-walled carbon nanotube (CNT) with an ion beam. We analyzed the defects produced at several energy levels when one argon atom collides with a single-walled CNT. At beam energies greater than 32 keV, the resulting defects were mainly single-vacancy defects. In addition to vacancy defects, we found chemisorption on the CNT sidewall, doping of the silica substrate, and cross-linking between the CNT and the substrate; these types of complex defects had a maximum probability of occurrence at around 100 eV and a close to null probability at around 100 keV.

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