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Phys. Rev. Lett. 99, 126105 (2007) [4 pages]

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

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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

Received 3 April 2007; published 21 September 2007

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.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.99.126105
DOI:
10.1103/PhysRevLett.99.126105
PACS:
68.47.Gh, 68.37.Ef, 73.43.Cd, 82.65.+r

*Deceased.

†Corresponding author.

Zdenek.Dohnalek@pnl.gov

 
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