Oxygen Reduction Reaction on Metal-Terminated MnCr(2)O(4) Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel
文献类型：期刊论文
| 作者 | Y. J. Wang ; P. Hu ; X. L. Ma |
| 刊名 | Journal of Physical Chemistry C
 |
| 出版日期 | 2011 |
| 卷号 | 115期号:10页码:4127-4133 |
| 关键词 | density-functional theory pitting corrosion electrochemical-behavior sulfide inclusions molecular-dynamics water formation initiation surfaces pt(111) electroreduction |
| ISSN号 | 1932-7447 |
| 中文摘要 | To understand pitting corrosion in stainless steel is very important, and a recent work showed that the MnS dissolution catalyzed by MnCr(2)O(4){111} is a starting point of pit g. This demonstrates the need to understand the oxygen reduction reaction (ORR) on MnCr(2)O(4){111}, which is the other half-reaction to complete pitting corrosion. In this study, the adsorption behaviors of all oxygen-containing species on MnCr(2)O(4){111}, which has several possible terminations, are explored via density functional theory calculations. It is found that O(2) adsorbs on MnCr(2)O(4){111) surfaces very strongly. Many possible reactions are investigated and the favored reaction mechanism of ORR is determined. The interactions between O(2) and H(2)O on the two metal-terminated MriCr(2)O(4){111} are found to be different according to the atomic configurations of the two surfaces. All the calculated results suggest that ORR can readily occur on the MnCr(2)O(4){111} surfaces. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30760]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. J. Wang,P. Hu,X. L. Ma. Oxygen Reduction Reaction on Metal-Terminated MnCr(2)O(4) Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel[J]. Journal of Physical Chemistry C,2011,115(10):4127-4133. |
| APA | Y. J. Wang,P. Hu,&X. L. Ma.(2011).Oxygen Reduction Reaction on Metal-Terminated MnCr(2)O(4) Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel.Journal of Physical Chemistry C,115(10),4127-4133. |
| MLA | Y. J. Wang,et al."Oxygen Reduction Reaction on Metal-Terminated MnCr(2)O(4) Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel".Journal of Physical Chemistry C 115.10(2011):4127-4133. |
入库方式： OAI收割
来源：金属研究所
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