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Zusammenfassung:
We use scanning tunneling microscopy (STM) and high-resolution core-level spectroscopy (XPS)
measurements to study the initial oxidation of vicinal Pd(100) surfaces exhibiting close-packed (111)
steps. The XPS data analysis is supported by detailed surface-core level shift calculations based on densityfunctional
theory. Both STM images and the XPS spectra are found to be perfectly consistent with a
characteristic zigzag O decoration of the Pd steps predicted by a preceding cluster-expansion based
theoretical study [Y. Zhang and K. Reuter, Chem. Phys. Lett. 465, 303 (2008)]. Continued oxygen uptake leads
to the additional stabilization of a p(2×2)-O overlayer on the Pd(100) terraces, and ultimately to step
bunching with the resulting large Pd(100) terraces covered by the PdO(101) surface oxide.