کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5352050 | 1503565 | 2017 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Curvature dependence of single-walled carbon nanotubes for SO2 adsorption and oxidation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Porous carbon-based catalysts showing high catalytic activity for SO2 oxidation to SO3 is often used in flue gas desulfurization. Their catalytic activity has been ascribed in many publications to the microporous structure and the effect of its spatial confinement. First principles method was used to investigate the adsorption and oxidation of SO2 on the inner and outer surface of single-walled carbon nanotubes (SWCNTs) with different diameters. It is interesting to found that there is a direct correlation: the barrier for the oxidation O_SWCNT + SO2 â SO3 + SWCNT monotonically decreases with the increase of SWCNTs' curvature. The oxygen functional located at the inner wall of SWCNTs with small radius is of higher activity for SO2 oxidation, which is extra enhanced by the spatial confinement effects of SWCNTs. These findings can be useful for the development of carbon-based catalysts and provide clues for the optimization and design of porous carbon catalysts.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 404, 15 May 2017, Pages 364-369
Journal: Applied Surface Science - Volume 404, 15 May 2017, Pages 364-369
نویسندگان
Yanqiu Chen, Shi Yin, Yueli Li, Wanglai Cen, Jianjun Li, Huaqiang Yin,