کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5423885 | 1395805 | 2009 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of the Ni growth on Pt stepped surfaces
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کلمات کلیدی
Surface energy - انرژی سطحیGrowth - رشدConstruction and use of effective interatomic interactions - ساخت و استفاده از تعاملات محاوره ای موثرMonte-Carlo simulations - شبیه سازی مونت کارلوComputer simulations - شبیهسازی کامپیوتریSemi-empirical models and model calculations - مدل های نیمه تجربی و محاسبات مدلDiffusion and migration - پخش و مهاجرت
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We have investigated the growth of Ni on Pt stepped surfaces with (1Â 1Â 1) terraces by means of potentials derived from the second moment approximation in a tight-binding model. The activation energies associated to these processes are determined. The Schwoebel barriers of Ni atoms descending steps of Pt stepped surfaces are calculated for different kinds of straight steps (A and B steps) differing by the orientation of the ledge. In addition, we study the diffusion of Ni adatoms at fcc or hcp sites in the presence of small adislands on the terraces, in the vicinity of the A and B steps. We show that a good estimate of the potential wells and diffusion barriers could be given by introducing a lateral effective pair interaction model, the interactions extending up to the next nearest neighbors. Finally, we have carried out Kinetic Monte-Carlo simulations to investigate the Ni wire formation at Pt step edges and the influence of the exchange processes in the alloy formation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 603, Issue 18, 15 September 2009, Pages 2879-2887
Journal: Surface Science - Volume 603, Issue 18, 15 September 2009, Pages 2879-2887
نویسندگان
Essolaani Wafa, Garbouj Hedi, Said Moncef, Picaud Fabien, Ramseyer Christophe, Spanjaard Daniel, Desjonquères Marie-Catherine,