Can Photo-Excitations Heal Defects in Carbon Nanotubes?

Chemical Physics Letters 392, 209 - 213 (2004)

Can Photo-Excitations Heal Defects in Carbon Nanotubes?

Y. Miyamoto, S. Berber, M. Yoon, A. Rubio, D. Tománek

We extend the time-dependent density functional formalism to study the microscopic response of defective nanotubes to electronic excitations. We nd the lifetime of electronic excitations in these nanostructures to be several orders of magnitude longer than in solids, necessitating the use of excited-state molecular dynamics to correctly describe the atomic motion. We nd that nanotubes containing monatomic vacancies, exposed to electronic excitations, show an unexpected self-healing ability, which is intimately linked to their nanometer size.

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http://dx.doi.org/10.1016/j.cplett.2004.05.070

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