کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5423472 | 1395791 | 2009 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structures and stability of Ag clusters on Ag(1Â 1Â 1) and Ni(1Â 1Â 1) surfaces
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Structures and stability of Ag clusters on Ag(1Â 1Â 1) and Ni(1Â 1Â 1) surfaces Structures and stability of Ag clusters on Ag(1Â 1Â 1) and Ni(1Â 1Â 1) surfaces](/preview/png/5423472.png)
چکیده انگلیسی
The structures of the lowest total energy for small AgN clusters with N = 2-20, which are grown on Ag(1 1 1) and Ni(1 1 1) surfaces, have been determined using a combination of the embedded-atom method and the basin-hopping algorithm. It is found that the particularly stable Ag clusters with N<18 have similar geometries on both surfaces when comparing clusters of the same size. On the other hand, the geometries of the less stable Ag clusters in the same size range differ for the two surfaces. From N⩾18, the sizes of the particularly stable structures are different for the two different substrates. Due to the large size mismatch of the two types of atoms it is energetically unfavorable for Ag to form a pseudomorphic monolayer structures on Ni(1 1 1) and there is considerable strain produced at the interface. The effect of this strain and the increased adatom-substrate interactions lead to irregular and elongated structures of the adsorbed Ag clusters.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 603, Issue 23, 1 December 2009, Pages 3339-3345
Journal: Surface Science - Volume 603, Issue 23, 1 December 2009, Pages 3339-3345
نویسندگان
Elisaveta Hristova, Valeri G. Grigoryan, Michael Springborg,