Institute of Functional Interfaces

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

  • chair:

    Yang, C. / Yin, L. / Bebensee, F. / Buchholz, M. / Sezen, H. / Heissler, S. / Chen, J. / Nefedov, A. / Idriss, H. / Gong, X. / Wöll, C. (2014)

  • place:

    Physical Chemistry Chemical Physics 16 (2014), 44, 24165-24168

  • Date: 2014
  • Yang, C. / Yin, L. / Bebensee, F. / Buchholz, M. / Sezen, H. / Heissler, S. / Chen, J. / Nefedov, A. / Idriss, H. / Gong, X. / Wöll, C. (2014): „Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)“. In: Physical Chemistry Chemical Physics 16 (2014), 44, 24165-24168

Abstract

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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).