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Packing defects into ordered structures: strands on TiO2.

Authors
  • Bechstein, R
  • Kristoffersen, H H
  • Vilhelmsen, L B
  • Rieboldt, F
  • Stausholm-Møller, J
  • Wendt, S
  • Hammer, B
  • Besenbacher, F
Type
Published Article
Journal
Physical Review Letters
Publisher
American Physical Society
Publication Date
Jun 08, 2012
Volume
108
Issue
23
Pages
236103–236103
Identifiers
PMID: 23003975
Source
Medline
License
Unknown

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 <111> 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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