Authors
A Krämer, M Vossen, F Forstmann
Publication date
1997/2/15
Journal
The Journal of chemical physics
Volume
106
Issue
7
Pages
2792-2800
Publisher
American Institute of Physics
Description
The structure of liquid water in contact with a metallic planar wall is calculated for the central force water model which is a stoichiometric mixture of partially charged hydrogen and oxygen atoms interacting via effective spherical pair potentials. The density profiles near the wall are obtained from the Wertheim–Lovett–Mou–Buff equation where the bulk information enters through the direct correlation functions. In this approach image interactions which are characteristic for a metallic boundary, and which cannot be treated as a simple particle–wall interaction are considered within a mean-field ansatz. We discuss the structural properties of the interface layer for both cases, the charged and the uncharged wall, and compare the results to those for an unpolarizable boundary where the image forces have been switched off. The differential capacitance as function of the wall charge is seen to show a characteristic “hump …
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