Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces

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	Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces
	Zhu, Quanxi ; Wang, Shao-qing
刊名	APPLIED SURFACE SCIENCE
	2017-07-15
卷号	410 页码:282-290
关键词	Surface adsorption Work function Charge transfer Polarization effect Lattice strain Platinum metals Coinage metals
ISSN号	0169-4332
通讯作者	Zhu, QX (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
中文摘要	Bimetallic surface alloys have been considered as an effective strategy to achieve better catalytic performance and to modify the work function of the substrate toward metal-gate electrode application. We perform a systematical investigation of Group 10 and Group 11 transition metals adsorption on Rh (111), Ru (0001) and W (110) surfaces with various coverages using first-principles method. Through comparing the Bader charge results and the plots of work function shift, it is found that the polarization effect plays an important role in modification of the bimetallic surface work functions rather than the charge transfer effect especially at low coverages. The coverage-dependent work function behavior gives a general feature: as it has a large negative shift at 0.25ML coverage, then increases almost linearly with the coverage and followed by a saturation value which is controlled by the lattice strain. It is also found that the metal over-layer growth modes are correlated with the specific features of the coverage-dependent metal-substrate adhesion energy. All these findings may give some guidelines for the bimetallic catalysts design in terms of growth, stability and activity. (C) 2017 Elsevier B.V. All rights reserved.
学科主题	Chemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter
收录类别	SCI
资助信息	National Key R&D Program of China [2016YFB0701302]; National Natural Science Foundation of China [51471164]
语种	英语
公开日期	2017-08-17
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/78048]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	Zhu, Quanxi,Wang, Shao-qing. Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces[J]. APPLIED SURFACE SCIENCE,2017,410:282-290.
APA	Zhu, Quanxi,&Wang, Shao-qing.(2017).Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces.APPLIED SURFACE SCIENCE,410,282-290.
MLA	Zhu, Quanxi,et al."Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces".APPLIED SURFACE SCIENCE 410(2017):282-290.