Accession Number:

ADA273455

Title:

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

Descriptive Note:

Technical rept.

Corporate Author:

NORTH CAROLINA UNIV AT CHAPEL HILL DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1993-11-01

Pagination or Media Count:

25.0

Abstract:

We calculated the potential of mean force profiles for Li and I- ions approaching non-charged Pt100 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

Subject Categories:

  • Inorganic Chemistry
  • Physical Chemistry
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE