Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface
Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface
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DOI：
10.1103/physrevlett.95.136101
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发表时间：
2005-09-23
影响因子：
8.6
通讯作者：
Diebold, U
中科院分区：
文献类型：
--
作者：
Dulub, O;Meyer, B;Diebold, U
扫描隧道显微镜和密度泛函理论（DFT）相结合的研究表明，在室温下，ZnO（10 (1) / bar0）吸附了丰富的水单层结构。大部分的水处于最低能量的构型，每隔一秒就有一个分子被解离。它与一个由全分子水单分子层组成的能量几乎简并的构型共存。该层的某些部分不断地在这两种状态之间来回切换。DFT计算表明，水分子在这个持续的动力学过程中反复结合和解离。
A combined scanning tunneling microscopy and density-functional theory (DFT) study shows a rich structure of water monolayers adsorbed on ZnO(10 (1) over bar0) 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.