| 金属团簇在单晶表面的稳定性和扩散行为的Monte Carlo研究 |
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| 作者单位： | 中国科学院山西煤炭化学研究所煤转化国家重点实验室,太原,030001;中国科学院研究生院,北京,100039;中国科学院山西煤炭化学研究所煤转化国家重点实验室,太原,030001 |
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| 摘 要： |
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| 关 键 词： | 金属团簇 扩散 稳定性 结构变化温度 |
Diffusion and Stability of Metal Clusters Supported on Pd(001) Surface |
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| Authors: | Tian Dongxu Guo Xiangyun |
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| Abstract: | The stability and diffusion behaviors of 1.3 MPa Pt, Pd, Ni and Cu clusters supported on Pd(001) surface were studied by the Monte Carlo method. The support surface can strongly influence the stability and diffusion behaviors of the supported clusters. The structure transition temperatures of the supported clusters are much lower than the melting temperatures of their corresponding free clusters due to the vibration coupling between the support and the clusters. The stability of the supported clusters depends on not only the strength of metal support interaction but also the strength of the metal metal interaction. The diffusion constants of supported 1.3 MPa clusters are similar to those of corresponding metal atoms. Combining the diffusion parameters with the critical temperature of the supported clusters, the thermal stability is closely related to the diffusion behaviors of the metal clusters. |
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| Keywords: | Metal clusters Diffusion Stability Structure transition temperature |
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