Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism.
نویسندگان
چکیده
Using first principles calculations for O vacancy diffusion on CeO(2)(111), we locate a surface diffusion mechanism, the two-step O vacancy exchange one, which is more favored than the most common hopping mechanism. By analyzing the results, we identify quantitatively the physical origin of why the two-step exchange mechanism is preferred.
منابع مشابه
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ورودعنوان ژورنال:
- Chemical communications
دوره 47 21 شماره
صفحات -
تاریخ انتشار 2011