| Melting Behaviour of Core-Shell Structured Ag-Rh Bimetallic Clusters |
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| 作者姓名： | 潘洋 程道建 黄世萍 汪文川 |
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| 作者单位： | Division of Molecular and Materials Simulation, Key Lab for Nanomaterials （Ministry of Education）, Beijing University of Chemical Technology, Beijing 100029 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Nos 20236010 and 20476004, and the National Basic Research Programme of China under Grant No G2003CB615807. |
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| 摘 要： |
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| 关 键 词： | 溶解行为 芯片壳 二金属簇 纳米材料 |
| 文章编号： | Email：wangwc@mail.buct.edu.cn |
| 收稿时间： | 2006-11-23 |
| 修稿时间： | 2006-11-23 |
Melting Behaviour of Core-Shell Structured Ag--Rh Bimetallic Clusters |
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| PAN Yang,CHENG Dao-Jian,HUANG Shi-Ping,WANG Wen-Chuan.Melting Behaviour of Core-Shell Structured Ag-Rh Bimetallic Clusters[J].Chinese Physics Letters,2007,24(6):1656-1659. |
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| Authors: | PAN Yang CHENG Dao-Jian HUANG Shi-Ping WANG Wen-Chuan |
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| Institution: | Division of Molecular and Materials Simulation, Key Lab for Nanomaterials (Ministry of Education |
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| Abstract: | The melting behaviour of four typical core-shell structured 309-atom Ag-Rh bimetallic clusters, with decahedral and icosahedral geometric configurations, is investigated by using molecular dynamics simulation, based on the Sutton-Chen potential. The initial atomic configurations are obtained from semi-grand canonical ensemble Monte Carlo simulations. It is found that the melting point temperature Tm increases with the mole fraction of Rh in the bimetallic clusters, and Tm of Ag-Rh icosahedral clusters is higher than those of Ag-Rh decahedral clusters with the same Rh mole fraction. It is also found that the Ag atoms lie on the surface of Ag-Rh bimetallic clusters even after melting. |
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| Keywords: | 61 46 Bc 68 35 Dv 68 35 Rh |
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