Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functionalab initioand tight-binding studies
- 20 February 2004
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 69 (7), 073402
- https://doi.org/10.1103/physrevb.69.073402
Abstract
We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon adatom on a flat graphene sheet inappropriate. Calculated migration energies for the adatoms agree well with the activation energies obtained from experiments on annealing of irradiation damage in single-walled nanotubes and attributed to single carbon interstitials.Keywords
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