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中国博士后科学基金(20100480645)

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发文基金:中国博士后科学基金国家自然科学基金更多>>
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Structure and dynamics of ordered water in a thick nanofilm on ionic surfaces被引量:1
2013年
The structure and dynamics of water in a thick film on an ionic surface are studied by molecular dynamic simulations. We find that there is a dense monolayer of water molecules in the vicinity of the surface. Water molecules within this layer not only show an upright hydrogen-down orientation, but also an upright hydrogen-up orientation. Thus, water molecules in this layer can form hydrogen bonds with water molecules in the next layer. Therefore, the two-dimensional hydrogen bond network of the first layer is disrupted, mainly due to the 0 atoms in this layer, which are affected by the next layer and are unstable. Moreover, these water molecules exhibit delayed dynamic behavior with relatively long residence time compared with those bulk-like molecules in the other layers. Our study should be halpful to further understand the influence of water film thickness on the interfacial water at the solid-liquid interface.
任秀平周波李兰婷王春雷
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