화학공학소재연구정보센터
Applied Surface Science, Vol.253, No.14, 6074-6079, 2007
The Rh influence on the surface distribution of the ternary alloy Pt-Pd-Rh
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.