| Oxygen Reduction Reaction on Metal-Terminated MnCr2O4 Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel | |
| Wang, Y. J.2; Hu, P.1; Ma, X. L.2 | |
| Corresponding Author | Hu, P.(p.hu@qub.ac.uk) |
| 2011-03-17 | |
| Source Publication | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| ISSN | 1932-7447 |
| Volume | 115Issue:10Pages:4127-4133 |
| Abstract | To understand pitting corrosion in stainless steel is very important, and a recent work showed that the MnS dissolution catalyzed by MnCr2O4{111} is a starting point of pit g. This demonstrates the need to understand the oxygen reduction reaction (ORR) on MnCr2O4{111}, which is the other half-reaction to complete pitting corrosion. In this study, the adsorption behaviors of all oxygen-containing species on MnCr2O4{111}, which has several possible terminations, are explored via density functional theory calculations. It is found that O-2 adsorbs on MnCr2O4{111) surfaces very strongly. Many possible reactions are investigated and the favored reaction mechanism of ORR is determined. The interactions between O-2 and H2O 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 MnCr2O4{111} surfaces. |
| Funding Organization | National Natural Science Foundation of China ; National Basic Research Program of China ; CAS/SAFEA |
| DOI | 10.1021/jp1108202 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China ; National Basic Research Program of China[2009CB623705] ; CAS/SAFEA |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| WOS Subject | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| WOS ID | WOS:000288113400037 |
| Publisher | AMER CHEMICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/104032 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Hu, P. |
| Affiliation | 1.Queens Univ Belfast, Sch Chem & Chem Engn, Belfast BT9 5AG, Antrim, North Ireland 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Wang, Y. J.,Hu, P.,Ma, X. L.. Oxygen Reduction Reaction on Metal-Terminated MnCr2O4 Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(10):4127-4133. |
| APA | Wang, Y. J.,Hu, P.,&Ma, X. L..(2011).Oxygen Reduction Reaction on Metal-Terminated MnCr2O4 Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel.JOURNAL OF PHYSICAL CHEMISTRY C,115(10),4127-4133. |
| MLA | Wang, Y. J.,et al."Oxygen Reduction Reaction on Metal-Terminated MnCr2O4 Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel".JOURNAL OF PHYSICAL CHEMISTRY C 115.10(2011):4127-4133. |
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