کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376318 | 1504319 | 2007 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Nitrogen complex species and its chemical nature in TiO2 for visible-light sensitized photocatalysis
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
A photocatalyst with high reactivity under visible-light has been desired to utilize solar irradiation or interior lighting efficiently. Nitrogen-doped TiO2 revealed significant improvement in optical absorption and photocatalytic activity over TiO2 under visible light. We have performed the first-principles calculations to study the detailed N complex species introduced in TiO2. The results include stable geometries, densities of states, formation energies, and core levels. The present systematic studies account for the long-term controversial issue on N-doped TiO2, in particular, regarding the detailed assignment of N 1s binding energies observed in the XPS measurement. The detailed analyses of the formation energies show that introducing the N species more in a controlled way via process conditions is crucial to achieve the optimized photocatalytic performance.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 339, Issues 1â3, 15 October 2007, Pages 57-63
Journal: Chemical Physics - Volume 339, Issues 1â3, 15 October 2007, Pages 57-63
نویسندگان
Ryoji Asahi, Takeshi Morikawa,