Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode

Dezsö Boda, W. Ronald Fawcett, Douglas Henderson, Stefan Sokołowski

Research output: Article

134 Citations (Scopus)

Abstract

An overview is given on simulation results and the results of PB/GC theory and DFT for charged hard sphere ions in a dielectric medium (PM) for spheres of diameter 3 A. It is shown that although both are good approaches, the PB/GC is unsatisfactory.

Original languageEnglish
Pages (from-to)7170-7176
Number of pages7
JournalJournal of Chemical Physics
Volume116
Issue number16
DOIs
Publication statusPublished - ápr. 22 2002

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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