Title :
The influence of (510) step surface on the segregation of (110)surface of O/RhxPt1−x alloy system
Author :
He, Junqi ; You Wang ; Zhang, Guoying ; Yan, Mufu
Author_Institution :
Sch. of Mater. Sci. & Eng., Harbin Inst. of Technol., Harbin, China
Abstract :
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.
Keywords :
adsorption; electronic density of states; electronic structure; platinum alloys; recursion method; rhodium alloys; surface segregation; surface states; (110) disordered binary alloy surface; (510) step surface segragation; O; RhxPt1-x; atomic cluster models; density of states; electronic structure; environment sensitive inlaid energy; oxygen adsorption; recursion method; Crystals; Electronic mail; Helium; Metals; Physics; Silicon; chemisorption; density of state (DOS); recursion method; surface segregation;
Conference_Titel :
Remote Sensing, Environment and Transportation Engineering (RSETE), 2011 International Conference on
Conference_Location :
Nanjing
Print_ISBN :
978-1-4244-9172-8
DOI :
10.1109/RSETE.2011.5965845
