Structure and Dynamics of Water at the Pt(111) Interface: Molecular Dynamics Study

Abstract

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.

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Document Details

Document Type
Technical Report
Publication Date
May 18, 1990
Accession Number
ADA222628

Entities

People

  • K. Foster
  • K. Motakabbir
  • K. Raghavan
  • M. Berkowitz

Organizations

  • University of North Carolina at Chapel Hill

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Adsorption
  • Chemistry
  • Coefficients
  • Computer Simulations
  • Diffusion Coefficient
  • Dihedral Angle
  • Dipole Moments
  • Equations
  • Hydrogen
  • Hydrogen Bonds
  • Metals
  • Military Research
  • Molecular Dynamics
  • North Carolina
  • Potential Energy
  • Simulations

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Wave Propagation and Nonlinear Chaotic Dynamics.