Influence of Temperature and Species in the Feedstock on theGrowth of Single-Wall Carbon Nanotubes

A molecular dynamics simulation method is used to study the growth of narrow single-wall carbon nanotubes. It is found that the growth temperature and the species of small carbon clusters in the feedstock are important for the quality of the nanotubes grown. There is a temperature range of 1000-1500K in which the narrow armchair single-wall carbon nanotubes can grow rapidly via adduction of C₂ dimers, even without the existence of catalysts. The narrow zigzag tubes cannot keep open-ended growth. If the feedstock consists of various species of carbon clusters, the tubes cannot keep open-ended growth. At higher temperatures, the narrow nanotubes close rapidly in the noncatalytic environment, and the products grown are fullerene-like capsules.