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- W2029347502 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." @default.
- W2029347502 created "2016-06-24" @default.
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- W2029347502 date "2014-02-10" @default.
- W2029347502 modified "2023-10-18" @default.
- W2029347502 title "Change of the work function of platinum electrodes induced by halide adsorption" @default.
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- W2029347502 doi "https://doi.org/10.3762/bjnano.5.15" @default.
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