کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5425507 1395858 2007 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Adsorption of V on a hematite (0 0 0 1) surface and its oxidation: Monolayer coverage
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Adsorption of V on a hematite (0 0 0 1) surface and its oxidation: Monolayer coverage
چکیده انگلیسی

The adsorption of a monolayer of V on idealized Fe- and oxygen-terminated hematite (0 0 0 1) surfaces and subsequent oxidation under atomic O adsorption are studied by density functional theory. Theoretical results are compared with X-ray surface standing wave and X-ray photoelectron spectroscopic measurements, and interpreted in the light of data on sub-monolayer coverages. Near-surface Fe reduction under V adsorption and accompanying structural relaxation are examined. These effects and subsequent response to oxidation, are found to be highly site specific. A full monolayer of oxygen leads to a V5+ state and reoxidation of subsurface Fe to the trivalent state, seen in both theory and experiment.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 601, Issue 19, 1 October 2007, Pages 4571-4581
نویسندگان
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