Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes

Abstract

Using a realistic many-body potential, we have simulated the properties of double-walled carbon nanotubes with the aim of investigating the role of lip-lip interactions on nanotube growth. Surprisingly, the lip-lip interaction by itself does not stabilize open-ended growth, but rather facilitates tube closure by mediating the transfer of atoms between inner and outer shells. A simulation of growth on a wide double-wall nanotube leads to considerable deviations from the ideal structure, in contrast to corresponding simulations for single-wall tubes, which result in nearly perfect structures.