Physics – Condensed Matter – Materials Science
Scientific paper
2005-09-15
Solid State Communications 136 (2005) 462
Physics
Condensed Matter
Materials Science
Solid state communications, in press
Scientific paper
10.1016/j.ssc.2005.09.007
The nucleation and growth of single wall carbon nanotubes from a carbon-saturated catalytic particle surrounded by a single sheet of graphene is described qualitatively by using a very restricted number of elementary processes, namely Stone-Wales defects and carbon bi-interstitials. Energies of the different configurations are estimated by using a Tersoff energy minimization scheme. Such a description is compatible with a broad variety of size or helicity of the tubes. Several mechanisms of growth of the embryos are considered: one of them is made more favourable when the tubes embryos are arranged in an hexagonal network in the graphene plane. All the proposed mechanisms can be indefinitely repeated for the growth of the nanotubes.
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