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Issue 44, 2014
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Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)

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Abstract

The chemical activity of oxygen vacancies on well-defined, single-crystal CeO2(111)-surfaces is investigated using CO as a probe molecule. Since no previous measurements are available, the assignment of the CO ν1 stretch frequency as determined by IR-spectroscopy for the stoichiometric and defective surfaces are aided by ab initio electronic structure calculations using density functional theory (DFT).

Graphical abstract: Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)

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Publication details

The article was received on 30 May 2014, accepted on 04 Aug 2014 and first published on 04 Aug 2014


Article type: Communication
DOI: 10.1039/C4CP02372B
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2014,16, 24165-24168
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    Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)

    C. Yang, L. Yin, F. Bebensee, M. Buchholz, H. Sezen, S. Heissler, J. Chen, A. Nefedov, H. Idriss, X. Gong and C. Wöll, Phys. Chem. Chem. Phys., 2014, 16, 24165
    DOI: 10.1039/C4CP02372B

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