Oxygen Reduction Reaction on Metal-Terminated MnCr2O4 Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel

doi:10.1021/jp1108202

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	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
通讯作者	Hu, P.(p.hu@qub.ac.uk)
	2011-03-17
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C
ISSN	1932-7447
卷号	115 期号:10 页码:4127-4133
摘要	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.
资助者	National Natural Science Foundation of China ; National Basic Research Program of China ; CAS/SAFEA
DOI	10.1021/jp1108202
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China ; National Basic Research Program of China[2009CB623705] ; CAS/SAFEA
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:000288113400037
出版者	AMER CHEMICAL SOC
引用统计	被引频次：6[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/104032
专题	中国科学院金属研究所
通讯作者	Hu, P.
作者单位	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
推荐引用方式 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.