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对吸附在ZnO表面的单层水的动力学变化的观察。

Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface.

作者信息

Dulub Olga, Meyer Bernd, Diebold Ulrike

机构信息

Department of Physics, Tulane University, New Orleans, Louisiana 70118, USA.

出版信息

Phys Rev Lett. 2005 Sep 23;95(13):136101. doi: 10.1103/PhysRevLett.95.136101. Epub 2005 Sep 20.

Abstract

A combined scanning tunneling microscopy and density-functional theory (DFT) study shows a rich structure of water monolayers adsorbed on ZnO(1010) at room temperature. Most of the water is in a lowest-energy configuration where every second molecule is dissociated. It coexists with an energetically almost degenerate configuration consisting of a fully molecular water monolayer. Parts of the layer continuously switch back and forth between these two states. DFT calculations reveal that water molecules repeatedly associate and dissociate in this sustained dynamical process.

摘要

一项结合扫描隧道显微镜和密度泛函理论(DFT)的研究表明,室温下吸附在ZnO(1010)上的水单层具有丰富的结构。大部分水处于能量最低的构型,其中每隔一个分子就会解离。它与由完全分子态水单层组成的能量几乎简并的构型共存。该层的部分区域在这两种状态之间不断地来回切换。DFT计算表明,水分子在这个持续的动态过程中反复缔合和解离。

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