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The Rh influence on the surface distribution of the ternary alloy Pt-Pd-Rh
Y. Chen; S. Z. Liao; H. Q. Deng
2007
发表期刊Applied Surface Science
ISSN0169-4332
卷号253期号:14页码:6074-6079
摘要Using the modified analytical embedded atom method (MAEAM) and combining with Monte Carlo computer simulations, the surface segregations of Pd-Rh and Pt-Pd-Rh have been simulated. The simulation results indicate that Pd enriched at both Pd-Rh and Pt-Pd-Rh (1 1 1) surface, but in the ternary ones, the surface Pd concentrations are influenced by bulk Rh compositions. Differences and similarities of the surface segregations between Pt-Pd, Pd-Rh and Pt-Pd-Rh have been discussed. Because of the lack of the experimental data, we finally compared present simulation results with available experiment data and theory calculation results of Au-Cu-Ni and Cu-Ag-Au. It is shown that the present results of simulations are in qualitative agreement with the experimentally observed trends, and it will be helpful for a better understanding of the segregation behaviors in Pt-Pd-Rh. (c) 2007 Elsevier B.V All rights reserved.
部门归属hunan normal univ, dept phys, changsha 410081, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;liao, sz (reprint author), hunan normal univ, dept phys, changsha 410081, peoples r china;chenyu_8323@163.com liaosz@hunnu.edu.cn
关键词Surface Segregation Pd-pt-rh Ternary Alloy Maeam Method Embedded-atom Method Monte-carlo-simulation Segregation Profiles Method Model Catalysts Re Cu
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WOS记录号WOS:000246601200025
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被引频次:11[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/33464
专题中国科学院金属研究所
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Y. Chen,S. Z. Liao,H. Q. Deng. The Rh influence on the surface distribution of the ternary alloy Pt-Pd-Rh[J]. Applied Surface Science,2007,253(14):6074-6079.
APA Y. Chen,S. Z. Liao,&H. Q. Deng.(2007).The Rh influence on the surface distribution of the ternary alloy Pt-Pd-Rh.Applied Surface Science,253(14),6074-6079.
MLA Y. Chen,et al."The Rh influence on the surface distribution of the ternary alloy Pt-Pd-Rh".Applied Surface Science 253.14(2007):6074-6079.
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