First principles study of halogens adsorption on intermetallic surfaces

IMR OpenIR

	First principles study of halogens adsorption on intermetallic surfaces
	Zhu, Quanxi; Wang, Shao-qing; qxzhu11@imr.ac.cn
	2016
发表期刊	APPLIED SURFACE SCIENCE
ISSN	0169-4332
卷号	364 页码:29-36
摘要	Halides are often present at electrochemical environment, they can directly influence the electrode potential or zero charge potential through the induced work-function change. In this work, we focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine on Al2Au and Al2Pt (110) surfaces. Results show that the real relation between work function change and dipole moment change for halogens adsorption on intermetallic surfaces is just a common linear relationship rather than a directly proportion. Besides, the different slopes between fitted lines and the theoretical slope employed in pure metal surfaces demonstrating that the halogens adsorption on intermetallic surfaces are more complicated. We also present a weight parameter beta to describe different factors effect on work function shift and finally qualify which factor dominates the shift direction. (C) 2015 Elsevier B.V. All rights reserved.
部门归属	[zhu, quanxi ; wang, shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
关键词	Halogens Intermetallic Surface Work Function Dipole Moment Charge Transfer Polarization Effect
资助者	National Key Basic Research Program of China (973) [2011CB606403]; National Natural Science Foundation of China [51471164]
收录类别	sci
语种	英语
WOS记录号	WOS:000369957800005
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/321006/74854
专题	中国科学院金属研究所
通讯作者	qxzhu11@imr.ac.cn
推荐引用方式 GB/T 7714	Zhu, Quanxi,Wang, Shao-qing,qxzhu11@imr.ac.cn. First principles study of halogens adsorption on intermetallic surfaces[J]. APPLIED SURFACE SCIENCE,2016,364:29-36.
APA	Zhu, Quanxi,Wang, Shao-qing,&qxzhu11@imr.ac.cn.(2016).First principles study of halogens adsorption on intermetallic surfaces.APPLIED SURFACE SCIENCE,364,29-36.
MLA	Zhu, Quanxi,et al."First principles study of halogens adsorption on intermetallic surfaces".APPLIED SURFACE SCIENCE 364(2016):29-36.