title: Charge trapping at the step edges of TiO(2) anatase (101).
abstract: A combination of photoemission, atomic force, and scanning tunneling microscopy/spectroscopy measurements shows that excess electrons in the TiO2 anatase (101) surface are trapped at step edges. Consequently, steps act as preferred adsorption sites for O2 . 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.
authors.affiliation: Institut für Angewandte Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10/134, 1040 Vienna (Austria); Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 16200 (Czech Republic).
authors.forename: Martin
authors.initials: M
authors.lastname: Setvin
authors.forename: Xianfeng
authors.initials: X
authors.lastname: Hao
authors.forename: Benjamin
authors.initials: B
authors.lastname: Daniel
authors.forename: Jiri
authors.initials: J
authors.lastname: Pavelec
authors.forename: Zbynek
authors.initials: Z
authors.lastname: Novotny
authors.forename: Gareth S
authors.initials: GS
authors.lastname: Parkinson
authors.forename: Michael
authors.initials: M
authors.lastname: Schmid
authors.forename: Georg
authors.initials: G
authors.lastname: Kresse
authors.forename: Cesare
authors.initials: C
authors.lastname: Franchini
authors.forename: Ulrike
authors.initials: U
authors.lastname: Diebold
keywords: adsorption; anatase; charge trapping; oxygen; surface chemistry