Change of the work function of platinum electrodes induced by halide adsorption

Florian Gossenberger, Tanglaw Roman, Katrin Forster-Tonigold, Axel Groß

Research output: Contribution to journalArticlepeer-review

67 Citations (Scopus)

Abstract

The properties of a halogen-covered platinum(111) surface have been studied by using density functional theory (DFT), because halides are often present at electrochemical electrode/electrolyte interfaces. We focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine. For electronegative adsorbates, an adsorption-induced increase of the work function is usually expected, yet we find a decrease of the work function for Cl, Br and I, which is most prominent at a coverage of approximately 0.25 ML. This coverage-dependent behavior can be explained by assuming a combination of charge transfer and polarization effects on the adsorbate layer. The results are contrasted to the adsorption of fluorine on calcium, a system in which a decrease in the work function is also observed despite a large charge transfer to the halogen adatom.

Original languageEnglish
Pages (from-to)152-161
Number of pages10
JournalBeilstein Journal of Nanotechnology
Volume5
Issue number1
DOIs
Publication statusPublished - 10 Feb 2014
Externally publishedYes

Keywords

  • Density functional theory
  • Ionicity
  • Polarizability
  • Surface dipole
  • Workfunction

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