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Journal Article

Oxygen adsorption on stepped Pd(100) surfaces


Zhang,  Y.
Theory, Fritz Haber Institute, Max Planck Society;


Zhang,  W.-B.
Theory, Fritz Haber Institute, Max Planck Society;


Reuter,  Karsten
Theory, Fritz Haber Institute, Max Planck Society;

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Li, F., Allegretti, F., Surnev, S., Netzer, F. P., Zhang, Y., Zhang, W.-B., et al. (2010). Oxygen adsorption on stepped Pd(100) surfaces. Surface science, 604, 1813-1819. doi:10.1016/j.susc.2010.07.012.

Cite as: http://hdl.handle.net/11858/00-001M-0000-0010-F76C-F
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.