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author:

Zhang Yong-Fan (Zhang Yong-Fan.) [1] (Scholars:章永凡) | Lin Wei (Lin Wei.) [2] | Wang Qi-Wei (Wang Qi-Wei.) [3] | Li Yi (Li Yi.) [4] (Scholars:李奕) | Li Jun-Qian (Li Jun-Qian.) [5]

Indexed by:

SCIE PKU CSCD

Abstract:

The reduced SnO(2()110) surface has been investigated by using first-principles method with a slab model. By examining the vacancy formation energy of three kinds of reduced SnO2(110) surfaces, the most energetically favorable defect surface is confirmed to be the surface with the coexistence of bridging and in-plane oxygen 'vacancies, which is different with the traditional odel by only removing bridging oxygen. The results of band structure calculations indicate that the electronic structure of this defect surface is similar to the SnO surface.

Keyword:

band structure defect state SnO2(110) surface

Community:

  • [ 1 ] Fuzhou Univ, Dept Chem, Fuzhou 350002, Fujian, Peoples R China
  • [ 2 ] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

Reprint 's Address:

  • 章永凡

    [Zhang Yong-Fan]Fuzhou Univ, Dept Chem, Fuzhou 350002, Fujian, Peoples R China

Email:

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2007

Issue: 5

Volume: 26

Page: 606-612

0 . 6 9 6

JCR@2007

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

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