Abstract
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 ∼100 carbon atoms per nanometer. In addition, the calculation shows that, among catalysts most often used, Fe has the highest efficiency for defect healing.
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