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

author:

Chen, Y. (Chen, Y..) [1] | Li, J.-Q. (Li, J.-Q..) [2] | Hu, C.-L. (Hu, C.-L..) [3]

Indexed by:

Scopus

Abstract:

The bond curvature (K), derived from the Directional-Curvature Theory, is developed as a simple and efficient criterion for structures and chemical anisotropy of sidewall [2+1] cycloadditions on single-walled boron nitride nanotubes (SWBNNTs). The origin of the relationship between the chemical anisotropy of SWBNNTs and the bond curvature is explained based on the viewpoint of hybrid orbital theory. The first-principle calculations for the additions on various types of the SWBNNTs show that not those single-parameter criteria, but the K, in which the two parameters R and θ are involved, can solely determine the structure types of the cycloadditions on the B-N bonds and predict the chemical anisotropy of the SWBNNTs. The larger the K is, the more easily the B-N bond is broken, and the binding energies of the opened structures change linearly with K. For the cycloaddition on SWBNNTs with moderate diameter, the boundary of K for determining whether the B-N bond is broken or not is about 1.45 nm -1 . © 2008 American Chemical Society.

Keyword:

Community:

  • [ 1 ] [Chen, Y.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China
  • [ 2 ] [Li, J.-Q.]Department of Chemistry, Fuzhou University, Fuzhou, Fujian, 350002, China
  • [ 3 ] [Hu, C.-L.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China

Reprint 's Address:

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

Show more details

Related Keywords:

Related Article:

Source :

Journal of Physical Chemistry C

ISSN: 1932-7447

Year: 2008

Issue: 48

Volume: 112

Page: 18787-18792

3 . 3 9 6

JCR@2008

3 . 3 0 0

JCR@2023

JCR Journal Grade:1

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

Affiliated Colleges:

Online/Total:71/10101121
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