Atomistic simulations of catalyzed carbon nanotube growth

J Nanosci Nanotechnol. 2006 May;6(5):1211-24. doi: 10.1166/jnn.2006.145.

Abstract

We review the advances made in understanding the mechanism of catalyzed carbon nanotube growth, with the main focus on direct dynamics and molecular dynamics studies of single-walled carbon nanotube (SWNT) growth. These studies have deepened our understanding of the catalytic SWNT nucleation and growth mechanisms, but more accurate and efficient methods are required for a complete investigation at experimental growth conditions.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Catalysis
  • Computer Simulation
  • Crystallization / methods*
  • Kinetics
  • Models, Chemical*
  • Models, Molecular*
  • Molecular Conformation
  • Nanotubes, Carbon / chemistry*
  • Nanotubes, Carbon / ultrastructure*
  • Quantum Theory

Substances

  • Nanotubes, Carbon