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- W2005013623 abstract "Abstract Electrochemical and gas-phase deposition experiments show a conflicting dependence of the adsorption geometries on the adsorption conditions for Cu on Pt(100). To clarify the experimental findings, the adsorption was investigated by an ab-initio method. According to the calculated results, (1 × 1) adsorption is favoured over the c (2 × 2) adsorption for the deposition from the gas phase as well as from electrolyte solution. It seems that, in the electrochemical experiments, adsorbate-size effects are responsible for the observed c (2 × 2) geometry. The calculated adsorption energy of 0.25 eV/Cu for c (2 × 2) coverage compares well with the experimentally measured underpotential. The atomic positions were relaxed for the topmost three layers. It turns out that the relaxation energy of -0.45 eV gives a very important contribution to the adsorption energy of -0.25 eV of the system Cu c (2 × 2)/Pt(100). Upon Cu adsorption the work function of Pt is decreased already for half a..." @default.
- W2005013623 created "2016-06-24" @default.
- W2005013623 creator A5031474414 @default.
- W2005013623 date "1999-02-01" @default.
- W2005013623 modified "2023-09-25" @default.
- W2005013623 title "Ab-initio study of the adsorption of Cu on Pt(100)" @default.
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- W2005013623 doi "https://doi.org/10.1080/13642819908206798" @default.
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