کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5364238 | 1388313 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Efficient channel of the associative oxygen desorption from Pt(1 1 1)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Mechanism of the associative desorption of oxygen from the Pt(1Â 1Â 1) surface has been studied on atomic level by means of density-functional calculations. Key to the association of two oxygen adatoms into the O2 molecule is the excitation of one of the adatoms to on-top site, where it becomes essentially neutral. The related redistribution of the electronic density at the O adatom leads to the appearance of the lateral attraction with the other O atom, thus providing an efficient channel for associative desorption. Calculated local densities of states resemble the transformation of the electronic structure of adsorbed O adatoms from the reactive to bound state in the course of association.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 254, Issue 14, 15 May 2008, Pages 4258-4262
Journal: Applied Surface Science - Volume 254, Issue 14, 15 May 2008, Pages 4258-4262
نویسندگان
I.N. Yakovkin, N.V. Petrova,