Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface

doi:10.1016/j.apsusc.2010.03.152

IMR OpenIR

	Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface
	Zhao, K. L.; Chen, D.; Li, D. X.
通讯作者	Chen, D.(dchen@imr.ac.cn)
	2010-08-15
发表期刊	APPLIED SURFACE SCIENCE
ISSN	0169-4332
卷号	256 期号:21 页码:6262-6268
摘要	The atomic configurations, bonding characteristics, and electronic structures of the N-adsorbed (directly and substitutionally) SrTiO3(0 0 1) surface are studied by using first-principles method based on the density functional theory. From the analysis of the energetics and density of states, it is found that the stability of the directly adsorbed N depends on the relative position of N atom to the surface. To better understand the effects of the substitutionally adsorbed N on the surface, as an example, the behavior of Au atoms adsorbed on the N-substituted surface is discussed in detail. There is clearly a synergy effect between the substitution of N for O-s(I) and the adsorption of Au atoms on the SrTiO3(0 0 1) surface. (C) 2010 Elsevier B. V. All rights reserved.
关键词	Density functional theory Electronic structure Surface structure
资助者	National Basic Research Program of China ; National Natural Science Foundation of China
DOI	10.1016/j.apsusc.2010.03.152
收录类别	SCI
语种	英语
资助项目	National Basic Research Program of China[2002CB613503] ; National Basic Research Program of China[2009CB623705] ; National Natural Science Foundation of China[50571100]
WOS研究方向	Chemistry ; Materials Science ; Physics
WOS类目	Chemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000278595700022
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：8[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/321006/103056
专题	中国科学院金属研究所
通讯作者	Chen, D.
作者单位	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	Zhao, K. L.,Chen, D.,Li, D. X.. Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface[J]. APPLIED SURFACE SCIENCE,2010,256(21):6262-6268.
APA	Zhao, K. L.,Chen, D.,&Li, D. X..(2010).Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface.APPLIED SURFACE SCIENCE,256(21),6262-6268.
MLA	Zhao, K. L.,et al."Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface".APPLIED SURFACE SCIENCE 256.21(2010):6262-6268.