Chemisorptions of atomic oxygen and its replacement by hydrogen on the diamond (100) surface studied by first principles

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	Chemisorptions of atomic oxygen and its replacement by hydrogen on the diamond (100) surface studied by first principles
	Z. G. Wang; X. T. Zu; J. L. Nie; H. Y. Xiao
	2006
发表期刊	Surface Review and Letters
ISSN	0218-625X
卷号	13 期号:1 页码:45-49
摘要	The initial oxidation process of a clean diamond (100) surface was studied by first-principles calculations. The O-bridge with C-O-C bond chemisorption, O-on-dimer chemisorption with epoxy structure, and O-on-top chemisorption with C=O bond structure are found to be stable on the diamond (100) surfaces. The epoxy structure is more stable than the O-bridge structure. The calculation also shows that the oxygen atom can be replaced by hydrogen in the oxidized diamond (100) surface.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;xiaotaozu@yahoo.com
关键词	First Principles Calculation Diamond (100) Surface Oxidation Replacement Alkaline Steam Oxidation Pseudopotentials 300-degrees-c Temperatures Preoxidation Desorption Deposition Adsorption Density
URL	查看原文
WOS记录号	WOS:000239410500007
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/321006/34546
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. G. Wang,X. T. Zu,J. L. Nie,et al. Chemisorptions of atomic oxygen and its replacement by hydrogen on the diamond (100) surface studied by first principles[J]. Surface Review and Letters,2006,13(1):45-49.
APA	Z. G. Wang,X. T. Zu,J. L. Nie,&H. Y. Xiao.(2006).Chemisorptions of atomic oxygen and its replacement by hydrogen on the diamond (100) surface studied by first principles.Surface Review and Letters,13(1),45-49.
MLA	Z. G. Wang,et al."Chemisorptions of atomic oxygen and its replacement by hydrogen on the diamond (100) surface studied by first principles".Surface Review and Letters 13.1(2006):45-49.