J Mater Sci Technol ›› 2003, Vol. 19 ›› Issue (06): 637-638.

• Research Articles • Previous Articles    

Single-Wall Carbon Nanotube Growth from Graphite Layers-a Tight Binding Molecular Dynamics Simulation

Yuntuan FANG, Min ZHU, Yongshun WANG   

  1. Department of Physics, Zhenjiang Watercraft College, Zhenjiang 212003, China
  • Received:1900-01-01 Revised:1900-01-01 Online:2003-11-28 Published:2009-10-10
  • Contact: Yuntuan FANG

Abstract: The growth of single-wall carbon nanotube from graphite layers is studied by tight binding molecular dynamics simulation. Given temperature of 2500 K or 3500 K and an interval of 0.25 nm for the two layers of graphite, a single-wall carbon nanotube with a zigzag shell will be produced. On the other conditions the carbon nanotube cannot grow or grows with too many defects. All carbon nanotube ends have pentagons which play an important role during the tube ends closing.

Key words: Single-wall carbon nanotube, Graphite, Tight binding molecular simulation