• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
成果搜索

author:

Yang, E. (Yang, E..) [1] | Li, J.-Q. (Li, J.-Q..) [2] | Chen, Y. (Chen, Y..) [3] (Scholars:陈勇)

Indexed by:

Scopus CSCD

Abstract:

We report a theoretical study on the electronic structures of O2 chemisorbed on a (8,0) SWNT with different oxygen contents of 6.25, 12.5 and 25%, respectively. On the basis of DFT calculations, we find that eight O 2 molecules chemisorbed on the (8,0) SWNT aligned in the middle row of the circumference of the tube in proportional spacing way, is seen to become metallic, and a significant increase in conductivity is expected. There are different electronic structures of the functionalized systems related to different oxygen contents or O2 molecules' chemisorbed positions.

Keyword:

(8,0) SWNT; Chemisorbed; DFT; Electronic structure; Metallic

Community:

  • [ 1 ] [Yang, E.]Department of Chemistry, Fuzhou University, Fuzhou 350002, China
  • [ 2 ] [Yang, E.]College of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350007, China
  • [ 3 ] [Li, J.-Q.]Department of Chemistry, Fuzhou University, Fuzhou 350002, China
  • [ 4 ] [Li, J.-Q.]Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China
  • [ 5 ] [Chen, Y.]Department of Chemistry, Fuzhou University, Fuzhou 350002, China

Reprint 's Address:

  • 李俊钱

    [Li, J.-Q.]Department of Chemistry, Fuzhou University, Fuzhou 350002, China

Show more details

Related Keywords:

Related Article:

Source :

Jiegou Huaxue

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2010

Issue: 12

Volume: 29

Page: 1788-1791

0 . 6 2 4

JCR@2010

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

Online/Total:224/10043093
Address:FZU Library(No.2 Xuyuan Road, Fuzhou, Fujian, PRC Post Code:350116) Contact Us:0591-22865326
Copyright:FZU Library Technical Support:Beijing Aegean Software Co., Ltd. 闽ICP备05005463号-1