کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5424281 1395818 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Surface segregation in bimetallic Pt3M (M = Fe, Co, Ni) alloys with adsorbed oxygen
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Surface segregation in bimetallic Pt3M (M = Fe, Co, Ni) alloys with adsorbed oxygen
چکیده انگلیسی
Surface segregation of Pt3M (M = Fe, Co, and Ni) alloys under oxygen environment has been examined using periodic density functional theory. The segregation trend at a (1 1 1) surface is found to be substantially modified by the adsorbed oxygen. Our calculations indicate that under 1/4 monolayer O coverage both the Pt-segregated and M-segregated surfaces are less stable than the non-segregated one. Further analysis reveals that segregation energy under adsorption environments can be expressed as the sum of the segregation energy under vacuum conditions and the adsorption energy difference of the segregated and non-segregated alloy systems. Therefore, the surface segregation trend under adsorption conditions is directly correlated to the surface-adsorbate binding strength.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 603, Issue 2, 15 January 2009, Pages 349-353
نویسندگان
, ,