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Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model 被引量:4
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作者 汪洋 yanagisawayasunori 《Journal of Zhejiang University Science》 EI CSCD 2004年第8期932-935,共4页
The chemisorption properties of N^18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures o... The chemisorption properties of N^18O 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 N^18O decomposed and recombined during the process of N2 desorption after N^18O was exposed. Analysis of thestable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO2(110) cluster modelshowed that there was clear preference for the Ti-NO orientation. 展开更多
关键词 ADSORPTION TPD Cluster model Molecular orbital theory calculation
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