Packing Defects into Ordered Structures: Strands on TiO2

R. Bechstein, H. H. Kristoffersen, L. B. Vilhelmsen, F. Rieboldt, J. Stausholm-Møller, S. Wendt, B. Hammer, and F. Besenbacher
Phys. Rev. Lett. 108, 236103 – Published 7 June 2012
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Abstract

We have studied vicinal TiO2(110) surfaces by high-resolution scanning tunneling microscopy and density functional theory calculations. On TiO2 surfaces characterized by a high density of 11¯1 steps, scanning tunneling microscopy reveals a high density of oxygen-deficient strandlike adstructures. With the help of density functional theory calculations we develop a complete structural model for the entire strand and demonstrate these adstructures to be more stable than an equivalent amount of bulk defects such as Ti interstitials. We argue that strands can form particularly easy on stepped surfaces because building material is available at step sites. The strands on TiO2(110) represent point defects that are densely packed into ordered adstructures.

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  • Received 30 March 2012

DOI:https://doi.org/10.1103/PhysRevLett.108.236103

© 2012 American Physical Society

Authors & Affiliations

R. Bechstein, H. H. Kristoffersen, L. B. Vilhelmsen, F. Rieboldt, J. Stausholm-Møller, S. Wendt, B. Hammer, and F. Besenbacher

  • Interdisciplinary Nanoscience Center (iNANO), Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark

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Issue

Vol. 108, Iss. 23 — 8 June 2012

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