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First principles study of halogens adsorption on intermetallic surfaces
Zhu, Quanxi; Wang, Shao-qing; qxzhu11@imr.ac.cn
2016
Source PublicationAPPLIED SURFACE SCIENCE
ISSN0169-4332
Volume364Pages:29-36
AbstractHalides 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.
description.department[zhu, quanxi ; wang, shao-qing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
KeywordHalogens Intermetallic Surface Work Function Dipole Moment Charge Transfer Polarization Effect
Funding OrganizationNational Key Basic Research Program of China (973) [2011CB606403]; National Natural Science Foundation of China [51471164]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/74854
Collection中国科学院金属研究所
Corresponding Authorqxzhu11@imr.ac.cn
Recommended Citation
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.
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