Charge Trapping at the Step Edges of TiO2 Anatase (101)

Martin Setvin, Xianfeng Hao, Benjamin Daniel, Jiri Pavelec, Zbynek Novotny, Gareth S. Parkinson, Michael Schmid, Georg Kresse, Cesare Franchini, Ulrike Diebold (Korresp. Autor*in)

Veröffentlichungen: Beitrag in FachzeitschriftArtikelPeer Reviewed


A combination of photoemission, atomic force, and scanning tunneling microscopy/spectroscopy measurements shows that excess electrons in the TiO 2 anatase (101) surface are trapped at step edges. Consequently, steps act as preferred adsorption sites for O 2. In density functional theory calculations electrons localize at clean step edges, this tendency is enhanced by O vacancies and hydroxylation. The results show the importance of defects for the wide-ranging applications of titania. In step: Step edges on the TiO 2 anatase (101) surface act as exclusive charge trapping centers. While the electron trapping is not favorable at (101) terraces, it is possible at the steps. It results in a higher reactivity of the steps towards some adsorbates, as illustrated for the example of O 2 adsorption.

Seiten (von - bis)4714-4716
FachzeitschriftAngewandte Chemie (International Edition)
PublikationsstatusVeröffentlicht - 25 Apr. 2014

ÖFOS 2012

  • 103025 Quantenmechanik
  • 103036 Theoretische Physik
  • 103015 Kondensierte Materie
  • 103009 Festkörperphysik