Journal
CHEMICAL PHYSICS LETTERS
Volume 333, Issue 1-2, Pages 29-35Publisher
ELSEVIER
DOI: 10.1016/S0009-2614(00)01322-1
Keywords
-
Ask authors/readers for more resources
For carbon nanotubes with open end, the relation between the distribution of frontier orbitals and the edge structure was studied by the Huckel and ab initio molecular orbital methods. When the edge of a nanotube takes a zigzag form, the frontier orbitals localize at the edge part irrespective of the tube length, and continuous growth can be expected according to the frontier electron theory; when the edge takes an armchair form, the frontier orbitals delocalize all over the tube surface, disfavoring the nanotube growth. These results coincide with the experimental observation by Sattler et al. (C) 2001 Elsevier Science B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available