Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110)

Zhenrong Zhang, Qingfeng Ge, Shao-Chun Li, Bruce D. Kay, J. M. White, and Zdenek Dohnálek
Phys. Rev. Lett. 99, 126105 – Published 21 September 2007
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Abstract

We report the first measurements and calculations of the intrinsic mobility of bridge-bonded oxygen (BBO) vacancies on a rutile TiO2(110). The sequences of isothermal (340–420 K) scanning tunneling microscope images show that BBO vacancies migrate along BBO rows. The hopping rate increases exponentially with increasing temperature with an experimental activation energy of 1.15 eV. Density functional theory calculations are in very good agreement giving an energy barrier for hopping of 1.03 eV. Both theory and experiment indicate repulsive interactions between vacancies on a given BBO row.

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  • Received 3 April 2007

DOI:https://doi.org/10.1103/PhysRevLett.99.126105

©2007 American Physical Society

Authors & Affiliations

Zhenrong Zhang1, Qingfeng Ge2, Shao-Chun Li3, Bruce D. Kay1, J. M. White1,3,*, and Zdenek Dohnálek1,†

  • 1Pacific Northwest National Laboratory, Fundamental Sciences Directorate, Chemical Sciences Division, Institute for Interfacial Catalysis, Richland, Washington 99352, USA
  • 2Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, Illinois 62901, USA
  • 3Department of Chemistry and Biochemistry, Center for Materials Chemistry, University of Texas at Austin, Austin, Texas 78712, USA

  • *Deceased.
  • Corresponding author. Zdenek.Dohnalek@pnl.gov

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Issue

Vol. 99, Iss. 12 — 21 September 2007

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