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author:

Zou, Xiujuan (Zou, Xiujuan.) [1] | Ding, Kaining (Ding, Kaining.) [2] (Scholars:丁开宁) | Zhang, Yonfang (Zhang, Yonfang.) [3] (Scholars:章永凡) | Yao, Shanshan (Yao, Shanshan.) [4]

Indexed by:

Scopus SCIE

Abstract:

The adsorption and decomposition of acetonitrile on the SnO2 (110) surface were investigated by means of first-principles computations. It is found that acetonitrile could be relatively easier decomposed into CH3 and CN fragments on the SnO2 (110) surface than on TiO2 (110), which agrees with the experimental results. The higher activity of the SnO2 (110) surface than the TiO2 (110) surface can be attributed to its higher work function and closer molecular orbital energies.

Keyword:

Acetonitrile Adsorption Decomposition TiO2 (110) surface

Community:

  • [ 1 ] [Zou, Xiujuan]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
  • [ 2 ] [Ding, Kaining]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
  • [ 3 ] [Zhang, Yonfang]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
  • [ 4 ] [Yao, Shanshan]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 丁开宁

    [Ding, Kaining]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

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Source :

THEORETICAL CHEMISTRY ACCOUNTS

ISSN: 1432-881X

Year: 2011

Issue: 1

Volume: 128

Page: 63-67

2 . 1 6 2

JCR@2011

1 . 6 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 9

SCOPUS Cited Count: 9

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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