| CO adsorption on small Aun（n=1-7） clusters supported on a reduced rutile TiO2（110） surface:a first-principles study |
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| 引用本文： | 王云江,王崇愚,王山鹰. CO adsorption on small Aun（n=1-7） clusters supported on a reduced rutile TiO2（110） surface:a first-principles study[J]. 中国物理 B, 2011, 20(3): 36801-036801 |
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| 作者姓名： | 王云江 王崇愚 王山鹰 |
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| 作者单位： | Department of Physics, Tsinghua University, Beijing 100084, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No. 10604035) and the National Basic Research Program of China (Grant No. 2006CB605102). |
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| 摘 要： | CO adsorption on small Au n(n = 1-7) clusters which are supported by a partially reduced rutile TiO 2(110) surface has been investigated by the first-principles method.The low coordinated sites of Au clusters are favorable for CO adsorption.CO-Au n-TiO 2 system displays surface magnetism.There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.
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| 关 键 词： | first-principles molecular adsorption supported cluster |
| 收稿时间： | 2010-10-21 |
CO adsorption on small Aun(n=1-7) clusters supported on a reduced rutile TiO2(110) surface: a first-principles study |
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| Wang Yun-Jiang,Wang Chong-Yu and Wang Shan-Ying. CO adsorption on small Aun(n=1-7) clusters supported on a reduced rutile TiO2(110) surface: a first-principles study[J]. Chinese Physics B, 2011, 20(3): 36801-036801 |
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| Authors: | Wang Yun-Jiang Wang Chong-Yu Wang Shan-Ying |
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| Affiliation: | Department of Physics, Tsinghua University, Beijing 100084, China;Department of Physics, Tsinghua University, Beijing 100084, China;Department of Physics, Tsinghua University, Beijing 100084, China |
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| Abstract: | 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. |
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| Keywords: | first-principles molecular adsorption supported cluster |
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