Title: IONIC HYDRATION NEAR A PLATINUM(100) SURFACE
Authors: K.Heinzinger (Max-Planck-lnstitut fur Chemie (Otto-Hahn-lnstitut) D-55020 Mainz, Germany)
In the Molecular Dynamic simulations reported here the flexible BJH model is used for the description of water-water interactions. The potentials for the interactions between ions and water, platinum surface and water as well as platinum surface and ions are based on ab initio calculations. It is demonstrated that the structural and dynamical properties of the ions and their hydration shells in the layer adsorbed on the Pt(100) surface are significantly different from those in a bulk solution. But the influence of the metal on these properties is practically limited to the adsorbed layer.
Comments: Figs. 14, Refs. 12, Tabs. 0.
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