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

Gossenberger, F.; Roman, T.; Forster-Tonigold, K. 1; Groß, A. 1
1 Karlsruher Institut für Technologie (KIT)


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.

Verlagsausgabe §
DOI: 10.5445/IR/110096065
DOI: 10.3762/bjnano.5.15
Zitationen: 106
Zitationen: 110
Cover der Publikation
Zugehörige Institution(en) am KIT Helmholtz-Institut Ulm (HIU)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2014
Sprache Englisch
Identifikator ISSN: 2190-4286
KITopen-ID: 110096065
HGF-Programm 43.15.02 (POF II, LK 01) Storage of electrical energy
Erschienen in Beilstein journal of nanotechnology
Verlag Beilstein-Institut
Band 5
Seiten 152-161
Schlagwörter density functional theory, ionicity; polarizability, surface dipole, work function
Nachgewiesen in Scopus
Web of Science
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