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Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory
Open accessAbstract
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.
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Cited by
Fundamentals and Catalytic Applications of CeO 2 -Based Materials
Montini, T., Melchionna, M., Monai, M., & Fornasiero, P. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00603 · Cited by 2,766
Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
Paier, J., Penschke, C., & Sauer, J. (2013) · Chemical Reviews · doi:10.1021/cr3004949 · Cited by 1,075
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Metadata
- Authors
- Jerratsch, J.-F., Shao, X., Nilius, N., Freund, H.-J., Popa, C., Ganduglia-Pirovano, M. V., Burow, A. M., & Sauer, J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2011-06-14
- Volume
- 106
- Issue
- 24
- Pages
- 246801-246801
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2001054891
- Cited by
- 197
- References
- 0
- FWCI
- 6.97
- Type
- journal article
- Language
- en
- Open access
- green
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- Jerratsch, J.-F., Shao, X., Nilius, N., Freund, H.-J., Popa, C., Ganduglia-Pirovano, M. V., Burow, A. M., & Sauer, J. (2011). Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory. Physical Review Letters. https://doi.org/10.1103/physrevlett.106.246801
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