Charge Trapping at the Step Edges of TiO2 Anatase (101) |
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| Authors: | Martin Setvin Xianfeng Hao Benjamin Daniel Jiri Pavelec Zbynek Novotny Gareth S. Parkinson Michael Schmid Georg Kresse Cesare Franchini Ulrike Diebold |
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| Affiliation: | 1. Institut für Angewandte Physik, Technische Universit?t Wien, Wiedner Hauptstrasse 8‐10/134, 1040 Vienna (Austria);2. Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 16200 (Czech Republic);3. Faculty of Physics and Center for Computational Materials Science, Universit?t Wien, Sensengasse 8/12, A‐1090 Wien (Austria) |
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| 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. |
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| Keywords: | adsorption anatase charge trapping oxygen surface chemistry |
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