Structure and Dynamics of Water at the Pt(111) Interface: Molecular Dynamics Study
NORTH CAROLINA UNIV AT CHAPEL HILL DEPT OF CHEMISTRY
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An analytical form of the interaction potential between rigid water- rigid metal surface, which takes into account the surface symmetry and its corrugation is developed. Using this potential the structure and dynamics of water at Pt 111 interface is investigated. At 300K the adjacent to the metal surface water layer displays solid-like properties. The next two layers of water display ordering similar to ice-I. Beyond these three layers the structure and dynamics of water is bulk like. Keywords Molecular dynamics, Computer simulation, Water-metal interface.