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Keywords:

  • density functional calculations;
  • nanoparticles;
  • structure elucidation;
  • surface chemistry;
  • thin films
Thumbnail image of graphical abstract

On top of old ceria: Vanadyl-terminated monomers, trimers (see picture), and oligomers form on a CeO2(111) surface, and their atomic structure is resolved using a combination of high-level experimental and theoretical results. Ceria surfaces stabilize vanadia species in a +5 oxidation state, which wet and chemically reduce the ceria surface and probably play a crucial role in the reactivity of ceria-supported vanadia in oxidation reactions.