The energetics of topological defects in carbon nanotubes and their kinetic healing during the catalytic growth were explored theoretically. The study indicated that, with the assistance of a metal catalyst, topological defects formed during the addition of C atoms could be efficiently healed at the carbon nanotube/catalyst interface. A topological defect-free carbon nanotube wall with 108 to 1011 carbon atoms was theoretically achievable and, as a consequence, the growth of perfect carbon nanotubes of 0.1 to 100cm long was possible since the linear density of a carbon nanotube was ∼100 carbon atoms per nanometer. In addition, the calculation showed that, among catalysts most often used, Fe had the highest efficiency for defect healing.

Efficient Defect Healing in Catalytic Carbon Nanotube Growth. Q.Yuan, Z.Xu, B.I.Yakobson, F.Ding: Physical Review Letters, 2012, 108[24], 245505