کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376479 | 1389362 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Fundamental aspects of electrocatalysis
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
A theory for electrochemical electron transfer is proposed which explicitly accounts for the electronic structure of the electrode; it applies both to simple and to bond-breaking reactions. Interactions with narrow d-bands lead to changes in the local density of states of the reactant as its electronic level fluctuates due to solvent reorganization. More importantly, it can significantly reduce activation barriers, and in extreme cases induce dissociative adsorption. The model gives some justification to recent suggestions that the center of the d-band is a key factor for electrocatalysis, and it offers a route for calculating reaction rates using results from ab initio calculations as input.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 332, Issue 1, 25 January 2007, Pages 39-47
Journal: Chemical Physics - Volume 332, Issue 1, 25 January 2007, Pages 39-47
نویسندگان
E. Santos, W. Schmickler,