کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5426484 | 1395890 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Local reactivity of ultrathin platinum overlayers and surface alloys on a gold surface
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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: Local reactivity of ultrathin platinum overlayers and surface alloys on a gold surface Local reactivity of ultrathin platinum overlayers and surface alloys on a gold surface](/preview/png/5426484.png)
چکیده انگلیسی
The geometric and electronic structure, the stability, and CO adsorption properties of pseudomorphic Pt overlayers and PtAu surface alloys on a Au(1Â 1Â 1) substrate have been addressed on the basis of first-principles calculations. We have found that two-monolayer thick surface alloys are more stable than one-monolayer thick alloys. The CO binding energies at the top sites of two-monolayer thick surface alloys increase gradually with the Pt concentration, while the energies are almost independent of the concentration for one-monolayer thick surface alloys. This difference is caused by the lower symmetry of the two-monolayer thick surface alloys, which makes the effect of neighboring atoms in the first layer more important.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 601, Issue 18, 15 September 2007, Pages 3702-3706
Journal: Surface Science - Volume 601, Issue 18, 15 September 2007, Pages 3702-3706
نویسندگان
Y. Gohda, A. GroÃ,