Morphology and Wettability of [Bmim][PF6] Ionic Liquid on HOPG Substrate

We investigate the morphology and wettability of [Bmira][PF6] ionic liquid （IL） on a highly oriented pyrolitic graphite （HOPG） substrate using atomic force microscopy. Thin films, nanometer-sized droplets, and ＂drop-onlayer＂ structures of the IL are found on the substrate. Films with a thickness of up to 2nm （about 4 IL layers） show the solid-like behavior. In contrast, a dewetting phenomenon is observed for thicker IL films, indicating that the IL films retain liquid properties. The contact angle of a buck IL droplet on the HOPG is measured to be about 35°. The wettability of the bulk IL droplet on the HOPG is found to be quite different from that of IL films. These results indicate that the IL molecules can be organized into various micro-morphologies when they are confined to a solid substrate and show characteristic behavior at nanometer scales.     

A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale

Water confined into the interior channels of narrow carbon nanotubes or transmembrane proteins can form collectively oriented molecular chains held together by tight hydrogen bonds. We develop a quasi-one-dimensional model for a chain of water molecules which interact with each other via the Coulomb and power-like repulsive interactions. We explore the equilibrium property of the water chain and derive an exact analytical expression for the total interaction energy of the water chain, denoted by W（0）int. It is found that W（0）int is minimal when the distance between the two neighboring water molecules in a hydrogen-bonded chain is equal to 0.265 nm. The model is expected to be useful for studying analytically the properties of single-file water molecules inside water channels, such as the concerted motion of water molecules.     

Structure and dynamics of ordered water in a thick nanofilm on ionic surfaces

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 O 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 helpful to further understand the influence of water film thickness on the interfacial water at the solid-liquid interface.