Abstract :
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
