二元Pd-X与三元Pd-X-PdO (X = Ag, Au, Cu, Ni, Pt)合金表面偏析的研究

Surface Segregation of Binary Pd-X and Ternary Pd-X-PdO (X = Ag, Au, Cu, Ni, Pt) Alloys

本文利用修正的Darken模型研究了二元Pd-X和三元Pd-X-PdO (X = Ag, Au, Cu, Ni, Pt)合金平衡及动态的表面偏析,利用Miedema模型计算了合金体系的偏析能和相互作用系数。通过模拟氧化物PdO与合金元素表面偏析的竞争,预测了氧化物PdO对Pd-X合金表面偏析的影响。这些结果为研究由偏析引起Pd基合金表面成分的变化提供了指导。

In this paper, the modified Darken model is used to study the equilibrium and kinetic surface seg-regation of binary Pd-X and ternary Pd-X-PdO (X = Ag, Au, Cu, Ni, Pt) alloys. The segregation energy and interaction parameter are evaluated by the Miedema model. The effect of PdO phase on the surface segregation of Pd-X-PdO alloys is predicted by simulating the competitive segregation be-tween the PdO and the two alloy elements. The results provide guidance for determining the change of surface concentration in Pd-based alloys.