Consistent picture for the wetting structure of water/Ru(0001)

CORC > 物理研究所 > 物理所公开发表论文 > 期刊论文

	Consistent picture for the wetting structure of water/Ru(0001)
	Meng, S ; Wang, EG ; Frischkorn, C ; Wolf, M ; Gao, SW
刊名	CHEMICAL PHYSICS LETTERS
	2005
卷号	402 期号:4-6 页码:384
关键词	PARTIAL DISSOCIATION MOLECULAR-DYNAMICS WATER RU(001) ADSORPTION TRANSITION
ISSN号	0009-2614
通讯作者	Gao, SW: Chalmers Univ Technol, Dept Appl Phys, Soliden 3037, SE-41296 Gothenburg, Sweden.
中文摘要	The wetting layer of DO on Ru(000 1) has been reanalyzed with ab initio molecular dynamics and full-potential calculation. The work function change induced by DO overlayers clearly favors the picture of molecular wetting rather than partial dissociation and suggests a mixed structure consisting of both hydrogen-up and hydrogen-down bilayers. This is further supported by the vibrational spectra, where agreement is only found for the intact overlayers but not for a half-dissociated overlayer. The larger barrier for dissociation in comparison with that for desorption suggests that dissociation is kinetically forbidden at low temperatures. These findings resolve the current controversy between previous calculations and experiments. (C) 2004 Elsevier B.V. All rights reserved.
收录类别	SCI
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/35054]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Meng, S,Wang, EG,Frischkorn, C,et al. Consistent picture for the wetting structure of water/Ru(0001)[J]. CHEMICAL PHYSICS LETTERS,2005,402(4-6):384.
APA	Meng, S,Wang, EG,Frischkorn, C,Wolf, M,&Gao, SW.(2005).Consistent picture for the wetting structure of water/Ru(0001).CHEMICAL PHYSICS LETTERS,402(4-6),384.
MLA	Meng, S,et al."Consistent picture for the wetting structure of water/Ru(0001)".CHEMICAL PHYSICS LETTERS 402.4-6(2005):384.