CO adsorption on small Au_n(n=1-7) clusters supported on a reduced rutile TiO_2(110) surface:a first-principles study  

作　　者：王云江 王崇愚 王山鹰 

机构地区：[1]Department of Physics,Tsinghua University

出　　处：《Chinese Physics B》2011年第3期360-365,共6页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No. 10604035);the National Basic Research Program of China (Grant No. 2006CB605102)

摘　　要：CO adsorption on small Aun （n = 1 - 7） clusters which are supported by a partially reduced rutile TiO2（110） surface has been investigated by the first-principles method. The low coordinated sites of Au clusters are favorable for CO adsorption. CO-Aun-TiO2 system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.CO adsorption on small Aun （n = 1 - 7） clusters which are supported by a partially reduced rutile TiO2（110） surface has been investigated by the first-principles method. The low coordinated sites of Au clusters are favorable for CO adsorption. CO-Aun-TiO2 system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.

关 键 词：FIRST-PRINCIPLES molecular adsorption supported cluster 1 

分 类 号：O469[理学—凝聚态物理]