Subsurface oxygen at transition metal surfaces: Its direct atom-resolved imaging and role in metal oxidation

doi:10.1016/j.actamat.2024.120226

IMR OpenIR

	Subsurface oxygen at transition metal surfaces: Its direct atom-resolved imaging and role in metal oxidation
	Yao, Tingting 1; Jiang, Yixiao 1; Yan, Xuexi 1; Chen, Chunlin 1,2; Li, Yanfen 2,3; Ye, Hengqiang 2; Ma, Xiu-Liang 4,5,6
通讯作者	Chen, Chunlin(clchen@imr.ac.cn) ; Li, Yanfen(yfli@imr.ac.cn)
	2024-09-15
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	277 页码:11
摘要	Clarifying how oxygen is incorporated into the subsurface region of metal surfaces is a crucial step towards a robust understanding of the initial oxidation of metals. Due to lack of direct atomic-resolution imaging of subsurface oxygen, the atomistic mechanisms of oxygen-metal interactions and the role of subsurface oxygen remain elusive. Here, by state-of-the-art transmission electron microscopy, we demonstrate a direct atom-resolved imaging of subsurface oxygen that is dissolved in the subsurface region of the Fe (001) and Ti (0001) surfaces. It is found that subsurface oxygen occupies the octahedral sites of the Fe and Ti lattices, rather than the tetrahedral sites. First-principles calculations reveal that the octahedral-site occupancy of subsurface oxygen is energetically more favorable compared to the tetrahedral-site occupancy and will facilitate the process of metal oxidation by reducing the formation energy of metal oxides. Our findings clarify the atomistic mechanism of how oxygen attacks metal surfaces for the initiation of oxidation that occurs everywhere in nature.
关键词	Initial oxidation Metal subsurface Oxygen dissolution Transmission electron microscopy First-principles calculations
资助者	National Natural Science Foundation of China ; Basic and Applied Basic Research Major Programme of Guangdong Province, China ; Jihua Laboratory
DOI	10.1016/j.actamat.2024.120226
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51801215] ; National Natural Science Foundation of China[52125101] ; Basic and Applied Basic Research Major Programme of Guangdong Province, China[2021B0301030003] ; Jihua Laboratory[X210141TL210]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001285146500001
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/188889
专题	中国科学院金属研究所
通讯作者	Chen, Chunlin; Li, Yanfen
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Sch Mat Sci & Engn,Univ Sci & Technol China, Shenyang 110016, Peoples R China 2.Jihua Lab, Foshan 528251, Peoples R China 3.Chinese Acad Sci, Shi Changxu Innovat Ctr Adv Mat, Inst Met Res, Shenyang 110016, Peoples R China 4.Songshan Lake Mat Lab, Bay Area Ctr Electron Microscopy, Dongguan 523808, Peoples R China 5.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China 6.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Yao, Tingting,Jiang, Yixiao,Yan, Xuexi,et al. Subsurface oxygen at transition metal surfaces: Its direct atom-resolved imaging and role in metal oxidation[J]. ACTA MATERIALIA,2024,277:11.
APA	Yao, Tingting.,Jiang, Yixiao.,Yan, Xuexi.,Chen, Chunlin.,Li, Yanfen.,...&Ma, Xiu-Liang.(2024).Subsurface oxygen at transition metal surfaces: Its direct atom-resolved imaging and role in metal oxidation.ACTA MATERIALIA,277,11.
MLA	Yao, Tingting,et al."Subsurface oxygen at transition metal surfaces: Its direct atom-resolved imaging and role in metal oxidation".ACTA MATERIALIA 277(2024):11.