title: Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111).
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).
authors.affiliation: Institut für Funktionelle Grenzflächen, Karlsruher Institut für Technologie, 76021 Karlsruhe, Germany. christof.woell@kit.edu.
authors.forename: Chengwu
authors.initials: C
authors.lastname: Yang
authors.forename: Li-Li
authors.initials: LL
authors.lastname: Yin
authors.forename: Fabian
authors.initials: F
authors.lastname: Bebensee
authors.forename: Maria
authors.initials: M
authors.lastname: Buchholz
authors.forename: Hikmet
authors.initials: H
authors.lastname: Sezen
authors.forename: Stefan
authors.initials: S
authors.lastname: Heissler
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
authors.forename: Alexei
authors.initials: A
authors.lastname: Nefedov
authors.forename: Hicham
authors.initials: H
authors.lastname: Idriss
authors.forename: Xue-Qing
authors.initials: XQ
authors.lastname: Gong
authors.forename: Christof
authors.initials: C
authors.lastname: Wöll