BROWSE

Related Researcher

Author's Photo

Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

ITEM VIEW & DOWNLOAD

Band-gap sensitive adsorption of fluorine molecules on sidewalls of carbon nanotubes: an ab initio study

Cited 5 times inthomson ciCited 5 times inthomson ci
Title
Band-gap sensitive adsorption of fluorine molecules on sidewalls of carbon nanotubes: an ab initio study
Author
Choi, Woon IhPark, SoheeKim, Tae-EunPark, NoejungLee, Kwang-RyeolLee, Young HeeIhm, JisoonHan, Seungwu
Issue Date
2006-12
Publisher
IOP PUBLISHING LTD
Citation
NANOTECHNOLOGY, v.17, no.23, pp.5862 - 5865
Abstract
We report from ab initio calculations that the band-gap sensitive side-wall functionalization of a carbon nanotube is feasible with the fluorine molecule (F2), which can provide a route to the extraction of semiconducting nanotubes by etching away metallic ones. In the small diameter cases like (11, 0) and (12, 0), the nanotubes are easily functionalized with F2 regardless of their electronic properties. As the diameter becomes larger, however, the fluorination is favoured on metallic CNTs with smaller activation barriers than those of semiconducting ones. Our results suggest that low-temperature exposure to F2 molecules in the gas phase can make a dominant portion of fluorinated metallic nanotubes and unfluorinated semiconducting ones. This is consistent with recent experimental reports.
URI
Go to Link
DOI
10.1088/0957-4484/17/23/025
ISSN
0957-4484
Appears in Collections:
PHY_Journal Papers
Files in This Item:
2-s2.0-33846047916.pdf Download

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qrcode

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU