Ice or water: thermal properties of monolayer water adsorbed on a substrate
Ice or water: thermal properties of monolayer water adsorbed on a substrate
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冰或水：吸附在基材上的单层水的热特性
DOI：
10.1088/1742-5468/2013/06/p06009
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发表时间：
2013-06-01
影响因子：
2.4
通讯作者：
Fang, Haiping
中科院分区：
文献类型：
--
作者：
Cheh, Jigger;Gao, Yi;Fang, Haiping
吸附在离子表面上的水分子可以在表面上呈现有序的单层。这种有序的结构赋予了它许多独特的性质，这些性质与液态水或冰不同。我们利用分子动力学模拟研究了单层水的热性质，发现其导热系数更接近于冰而不是液态水。研究了热导率与衬底上电荷和温度的关系。本研究探讨了水分子的密度分布来解释这种依赖关系，并考察了体相水对单层水的结构和热性质的影响。进一步研究了单分子层水中的动能输运。
Adsorbed water molecules on an ionic surface may exhibit an ordered monolayer on the surface. The ordered structure gives it many unique properties that are distinct from either liquid water or ice. We use molecular dynamics simulations to investigate the thermal properties of monolayer water, and find that its thermal conductivity is more similar to ice than to liquid water. The dependence of the thermal conductivity on the charge on the substrate and the temperature are studied. This study explores the density distribution of the water molecules to explain the dependence relations, and examines the effect of bulk water on the structure and thermal properties of monolayer water. Furthermore, kinetic energy transportation in monolayer water is studied.