کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5349002 1503640 2015 23 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theoretical study of support effect of Au catalyst for glucose oxidation of alkaline fuel cell anode
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Theoretical study of support effect of Au catalyst for glucose oxidation of alkaline fuel cell anode
چکیده انگلیسی
We theoretically analyzed the glucose oxidation reaction mechanism and reaction activity of Au catalyst supported by carbon (graphite(0 0 0 1), (101¯0), and (112¯0)) and oxide (ZrO2(1 1 1) and SnO2(1 1 0)) in alkaline solution environment by using density functional theory method. We observed large stabilization of Au catalyst on support materials due to the electron transfer in the case of graphite(112¯0) and SnO2(1 1 0) systems. The catalytic activity for glucose oxidation reaction over Au supported by graphite(101¯0) and (112¯0) is calculated to be low in comparison with those of unsupported system. We found that SnO2(1 1 0) supported Au catalyst shows high activity toward the glucose oxidation. One of the main factors for the observed high catalytic activity is charge transfer from Au catalyst to support materials. When the atomic charge of Au catalyst becomes positive by the support effect, the activity of glucose oxidation reaction on Au catalyst is improved.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 324, 1 January 2015, Pages 76-81
نویسندگان
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