The influence of (510) step surface on the segregation of (110)surface of O/RhxPt1−x alloy system

摘要

The atomic cluster models of (110) surface of RhxPt1−x disordered binary alloy were constructed under the condition of O adsorption or not, and the coverage rate of O is 0.5. Also the (510)^[1] step surface were constructed on each model. The environment sensitive inlaid energy (EESE) and the electronic structure of the (510) step surface of O/RhxPt1−x system were calculated by Recursion method. The results of EESE show that, the exists of (510) step surface increases the segregation of Rh on the surface of Rh-Pt. The electronic structure shows that in the case of O adsorption, the two peaks in the total density states on the alloy surface is more obvious because of the step stage which also decreased the total density states on the alloy surface.