کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5375058 1504288 2010 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Linear response theory of activated surface diffusion with interacting adsorbates
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Linear response theory of activated surface diffusion with interacting adsorbates
چکیده انگلیسی
Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 370, Issues 1–3, 12 May 2010, Pages 180-193
نویسندگان
, , , , ,