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

被引：160

作者：

Jerratsch, Jan-Frederik ^{[1
]}

Shao, Xiang ^{[1
]}

Nilius, Niklas ^{[1
]}

Freund, Hans-Joachim ^{[1
]}

Popa, Cristina ^{[2
]}

Veronica Ganduglia-Pirovano, M. ^{[2
]}

Burow, Asbjoern M. ^{[2
]}

Sauer, Joachim ^{[2
]}

机构：

[1] Fritz Haber Inst MPG, D-14195 Berlin, Germany

[2] Humboldt Univ, D-10099 Berlin, Germany

来源：

PHYSICAL REVIEW LETTERS | 2011年 / 106卷 / 24期

关键词：

SURFACES; NANOPARTICLES; MORPHOLOGY; CATALYSTS; GOLD; CEO2;

D O I：

10.1103/PhysRevLett.106.246801

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页数：4

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