Free Energy Profiles for Li(+) and I(-) Ions Approaching Pt(100) Surface: A Molecular Dynamics Study

Abstract

We calculated the potential of mean force profiles for Li+ and I- ions approaching non-charged Pt(100) surface and solvated in water. These profiles show that while for I- the traditional picture placing the anion in contact with the metal surface is justified, for Li + the traditional picture presenting the cation separated from the metal surface by layers of water is not correct. Potential of mean force, Aqueous solutions at the interface with the metal

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1993
Accession Number
ADA273455

Entities

People

  • L. Perera
  • Max L. Berkowitz

Organizations

  • University of North Carolina at Chapel Hill

Tags

Communities of Interest

  • Air Platforms

DTIC Thesaurus Topics

  • Abstracts
  • Aqueous Solutions
  • Chemistry
  • Computer Simulations
  • Dynamics
  • Energy
  • Equations Of Motion
  • Free Energy
  • Military Research
  • Molecular Dynamics
  • North Carolina
  • Physical Chemistry
  • Simulations
  • Water

Fields of Study

  • Physics

Readers

  • Computer Vision.
  • Electrochemical Engineering/ Fuel Cell Technologies