The energetics of topological defects (TDs) in carbon nanotubes (CNTs) and their kinetic healing during the catalytic growth are explored theoretically. Our study indicates that, with the assistance of a metal catalyst, TDs formed during the addition of C atoms can be efficiently healed at the CNT-catalyst interface. Theoretically, a TD-free CNT wall with ${10}^8–{10}^{11}$ carbon atoms is achievable, and, as a consequence, the growth of perfect CNTs up to 0.1–100 cm long is possible since the linear density of a CNT is $\sim 100$ carbon atoms per nanometer. In addition, the calculation shows that, among catalysts most often used, Fe has the highest efficiency for defect healing.

• Received 6 February 2012

DOI:https://doi.org/10.1103/PhysRevLett.108.245505