کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7145644 1462070 2015 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Adsorption and oxidation of NO on various SnO2(1 1 0) surfaces: A density functional theory study
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Adsorption and oxidation of NO on various SnO2(1 1 0) surfaces: A density functional theory study
چکیده انگلیسی
Density functional theory (DFT) calculation was employed to study the adsorption of NO molecules on SnO2(1 1 0) surface. For comparison, the adsorption of NO on SnO2, SnO2−x and O2 + SnO2−x surfaces are considered. The most stable configurations were found for NO adsorption on various SnO2(1 1 0) surfaces, respectively, and NO is preferentially adsorbed on the oxygen vacancy site through an N-down orientation. A further exploration was made about the oxidation of NO molecules. The results show that the highly reactive O2 + SnO2−x(1 1 0) surface can oxidize the NO molecule into a NO2 species easily.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Sensors and Actuators B: Chemical - Volume 221, 31 December 2015, Pages 717-722
نویسندگان
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