کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9595191 1507974 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Surface segregation of transition metal impurities on the TiC(1 0 0) surface
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Surface segregation of transition metal impurities on the TiC(1 0 0) surface
چکیده انگلیسی
The segregation energies of 3d (Sc-Cu), 4d (Y-Ag) and 5d (La-Au) transition metal impurities on the (1 0 0) surface of TiC have been obtained using first-principles electronic structure calculations. The results are in agreement with available experimental data and show that the difference in atomic size between the impurity and host species, as well as the difference in surface energies determines if the impurity will segregate towards the surface or not. The results indicate that the difference in size is the dominant factor for the trends in segregation of transition metal impurities towards the (1 0 0) surface of TiC.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 585, Issues 1–2, 1 July 2005, Pages 101-107
نویسندگان
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