Water wettability of close-packed metal surfaces

被引：20

作者：

Meng, Sheng ^{[1
,2
,3
,4
]}

Kaxiras, Efthimios ^{[1
,2
]}

Zhang, Zhenyu ^{[4
,5
]}

机构：

[1] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA

[2] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

[3] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA

[4] Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA

[5] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2007年 / 127卷 / 24期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2804871

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We propose a new microscopic criterion to determine surface wetting: water wets the surface whenever its overlayer has a larger adsorption energy than three-dimensional clusters on the bare or water-covered substrate. This conceptually intuitive criterion is validated by detailed first-principles calculations of the energetics of layers and clusters of water on different metal surfaces. This criterion resolves naturally the current discrepancy between theory and experiment on the wetting behavior of undissociated water on Ru(0001), as well as the hydrophobic nature of the Au(111) surface. It also explains the Stranski-Krastanov ice growth on Pt(111) observed experimentally. (c) 2007 American Institute of Physics.

引用

页数：4