Pentagons and Heptagons in the First Water Layer on Pt(111)

被引：208

作者：

Nie, S. ^{[1
]}

Feibelman, Peter J. ^{[2
]}

Bartelt, N. C. ^{[1
]}

Thuermer, K. ^{[1
]}

机构：

[1] Sandia Natl Labs, Livermore, CA 94550 USA

[2] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 105卷 / 02期

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ICE; METALS;

D O I：

10.1103/PhysRevLett.105.026102

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Scanning tunneling topography of long-unexplained "root 37 and "root 39 periodic wetting arrangements of water molecules on Pt(111) reveals triangular depressions embedded in a hexagonal H(2)O-molecule lattice. Remarkably, the hexagons are rotated 30 degrees relative to the "classic bilayer'' model of water-metal adsorption. With support from density functional theory energetics and image simulation, we assign the depressions to clusters of flat-lying water molecules. 5- and 7-member rings of H(2)O molecules separate these clusters from surrounding "H-down'' molecules.

引用

页数：4

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