Electronic structure of carbon nanotube in the growth

Citation
G. Zhou et al., Electronic structure of carbon nanotube in the growth, CHEM J CH U, 22(11), 2001, pp. 1889-1892
Citations number
19
Language
CHINESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
0251-0790 → ACNP
Volume
22
Issue
11
Year of publication
2001
Pages
1889 - 1892
Database
ISI
SICI code
0251-0790(200111)22:11<1889:ESOCNI>2.0.ZU;2-B
Abstract
The electronic structure of single-walled carbon nanotube (SWNT) in the gro wth is studied by using the first-principle discrete variable calculations. I We find the electronic structure of the mouth is remarkably different fr om that of the body due to dangling bonds. The corresponding valence electr ons not only directly change the bonding model of the mouth, strengthen the bonding between carbon atoms and induce carbon atoms shift to tube core al ong the radial, which is in good agreement with the morphology of perfect t ip observed in the experiments, but also reduce the chemical stability of c arbon nanotube. The electronic structure differing from the closed carbon n anotube determines the different operation behavior of carbon nanotube in t he growth in the synthesis of nano-material.