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RevistaPhysical Review Letters
Año2011
Volumen106
Páginas246801
Internacional

Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory

Autores:Jan-Frederik Jerratsch , Xiang Shao , Niklas Nilius , H.-J. Freund , Cristina Popa , María Verónica Ganduglia Pirovano, Asbjoern M. Burow , J. Sauer
Grupos de investigación:Catálisis Teórica y Modelización
Scanning-tunneling microscopy and density-functional theory have been employed to identify the spatial correlation between an oxygen vacancy and the associated Ce(3+) ion pair in a defective CeO(2)(111) film. The two Ce(3+) ions can occupy different cationic shells around the vacancy. The resulting variation in the chemical environment leads to a splitting of the filled Ce(3+) f levels, which is detected with STM spectroscopy. The position of the Ce(3+) ion pair is reflected in characteristic defect patterns observed in empty-state STM images, which arise from the bright appearance of Ce(4+) ions next to the defect while the Ce(3+) remain dark. Both findings demonstrate that at least one excess electron localizes in a Ce ion that is not adjacent to the O vacancy.
Palabras clave:SURFACES, NANOPARTICLES, MORPHOLOGY, CATALYSTS, GOLD, CEO2
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