Vibrational recognition of hydrogen-bonded water networks on a metal surface

被引：222

作者：

Meng, S

Xu, LF

Wang, EG

Gao, SW

机构：

[1] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China

[2] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[3] Univ Gothenburg, SE-41296 Gothenburg, Sweden

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 17期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.89.176104

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The adsorption of water on Pt(111) surface has been studied with ab initio molecular dynamics simulation. Both the energetics and vibrational dynamics indicate the existence of a well-ordered molecular bilayer on this surface. This conclusion is in contrast to the recent result of water on Ru(0001) surface, but agrees with available experiments. In addition, our calculation identifies two different hydrogen bonds in the bilayer. Both can be directly recognized from the vibrational spectra of the OH stretch modes.

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页码：1 / 176104

页数：4

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