A Molecular Dynamics Study on the Water/Metal Interfacial Potential
- 1 November 1988
- journal article
- research article
- Published by Wiley in Berichte der Bunsengesellschaft für physikalische Chemie
- Vol. 92 (11) , 1358-1363
- https://doi.org/10.1002/bbpc.198800326
Abstract
Several Molecular Dynamics simulations of water on the (100) plane of a platinum single crystal have been performed for different degrees of surface coverage. The orientation of the water molecules is mainly determined by the water‐water interactions which is even true at low coverage as the water molecules are not distributed uniformly on the surface. The calculated work function change is in good agreement with experimental results.Keywords
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