| Theoretical study of NO adsorbed on the surface of TiO2（110） cluster model |
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| 作者姓名： | Wang Y Yanagisawa Y |
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| 摘 要： |
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| 关 键 词： | 聚集模型 TPD 分子轨道理论计算 表面吸附 一氧化氮 二氧化钛 合金 空气污染 |
Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model |
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| Wang Y,Yanagisawa Y.Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model[J].Journal of Zhejiang University Science,2004,5(8):932-935. |
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| Authors: | Wang Yang Yanagisawa Yasunori |
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| Institution: | Institute of Metal Materials, Zhejiang University, Hangzhou 310027, China; ml117@zju.edu.cn |
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| 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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