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

http://doi.org/10.1631/jzus.2004.0932


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.

@article{title="Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model",
author="WANG Yang, YANAGISAWA Yasunori",
journal="Journal of Zhejiang University Science A",
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pages="932~935",
year="2004",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.2004.0932"
}

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%T Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model
%A WANG Yang
%A YANAGISAWA Yasunori
%J Journal of Zhejiang University SCIENCE A
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%P 932~935
%@ 1869-1951
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%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.2004.0932

TY - JOUR
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


Abstract: 
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.

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Reference

[1] Boccuzzi, F., Guglielminotti, E., Spoto, G., 1991. Vibrational and electronic effects of NO chemisorption on TiO2 and Ru/TiO2. Surface Science, 251/252:1069-1074.

[2] Davies, B.M., Craig Jr., J.H., 2003. NO adsorption on Ge (100) studied by TPD. Applied Surface Science, 205:22-26.

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[4] Linsebigler, A.L., Lu, G., Yates Jr., J.T., 1995. Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results. Chemical Review, 95(3):735-758.

[5] Ryu, G.H., Park, S.C., Lee, S.B., 1999. Molecular orbital study of the interactions of CO molecules adsorbed on a W(111) surface. Surface Science, 427/428:419-425.

[6] Shimizu, A., Tachikawa, H., 2002. The direct molecular orbital dynamics study on the hydrogen species adsorbed on the surface of planar graphite cluster model. Journal of Physics and Chemistry of Solids, 63:759-763.

[7] Sorescu, D.C., Yates Jr., J.T., 2002. First Principles Calculation of the Adsorption Properties of CO and NO on the Defective TiO2(110) Surface. Journal of Physics and Chemistry of Solids, B106:6184-6199.

[8] Tominaga, Y., Nishimura, S., Amemiya, T., Fuda, T., Tamura, T., Kuriiwa, T., Kamegawa, A., Okada, M., 1999. Protium Absorption-Desorption Properties of Ti-V-Cr Alloys with a BCC Structure. Materials Transaction JIM., 40:871-874.

[9] Yanagisawa, Y., 1996. NO interaction with thermally activated CaO and SrO surface. Applied Surface Science, 100/101:256-259.

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