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Received: 2003-09-29

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Journal of Zhejiang University SCIENCE A 2004 Vol.5 No.8 P.932~935


Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model

Author(s):  WANG Yang, YANAGISAWA Yasunori

Affiliation(s):  Institute of Metal Materials, Zhejiang University, Hangzhou 310027, China; more

Corresponding email(s):   ml117@zju.edu.cn

Key Words:  Adsorption, TPD, Cluster model, Molecular orbital theory calculation

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WANG Yang, YANAGISAWA Yasunori. Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model[J]. Journal of Zhejiang University Science A, 2004, 5(8): 932~935.

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author="WANG Yang, YANAGISAWA Yasunori",
journal="Journal of Zhejiang University Science A",
publisher="Zhejiang University Press & Springer",

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%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.2004.0932

T1 - Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model
A1 - WANG Yang
A1 - YANAGISAWA Yasunori
J0 - Journal of Zhejiang University Science A
VL - 5
IS - 8
SP - 932
EP - 935
%@ 1869-1951
Y1 - 2004
PB - Zhejiang University Press & Springer
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DOI - 10.1631/jzus.2004.0932

The chemisorption properties of N18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures of the three desorption peaks of the main N2 molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N18O decomposed and recombined during the process of N2 desorption after N18O was exposed. Analysis of the stable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO2(110) cluster model showed that there was clear preference for the Ti-NO orientation.

Darkslateblue:Affiliate; Royal Blue:Author; Turquoise:Article


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