Description:
<jats:title>Abstract</jats:title>
<jats:p>X-ray photoemission spectroscopy is a standard technique for materials characterization and the O 1s binding energy is commonly measured for oxides. Here we use density functional theory calculations to investigate how the O 1s binding energy in CeO<jats:sub>2</jats:sub>(111) is influenced by the presence of oxygen vacancies. The case with point vacancies in CeO<jats:sub>2</jats:sub>(111) is compared to complete reduction to Ce<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>. Reduction of CeO<jats:sub>2</jats:sub> by oxygen vacancies is found to have a minor effect on the O 1s binding energy. The O 1s binding energy is instead clearly changed when the character of the chemical bond for the considered oxygen atom is modified by, for example, the formation of OH-groups or carbonates.</jats:p>