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The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface
Abstract
Introducing a charge into a solid such as a metal oxide through chemical, electrical, or optical means can dramatically change its chemical or physical properties. To minimize its free energy, a lattice will distort in a material specific way to accommodate (screen) the Coulomb and exchange interactions presented by the excess charge. The carrier-lattice correlation in response to these interactions defines the spatial extent of the perturbing charge and can impart extraordinary physical and chemical properties such as superconductivity and catalytic activity. Here we investigate by experiment and theory the atomically resolved distribution of the excess charge created by a single oxygen atom vacancy and a hydroxyl (OH) impurity defects on rutile TiO2(110) surface. Contrary to the conventional model where the charge remains localized at the defect, scanning tunneling microscopy and density functional theory show it to be delocalized over multiple surrounding titanium atoms. The characteristic charge distribution controls the chemical, photocatalytic, and electronic properties of TiO2 surfaces.
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Citations
Cites
Surface Science Studies of the Photoactivation of TiO 2 New Photochemical Processes
Thompson, T. L., & Yates, J. T. (2006) · Chemical Reviews · doi:10.1021/cr050172k · Cited by 2,064
Cited by
Thermally-driven processes on rutile TiO2(110)-(1×1): A direct view at the atomic scale
Dohnálek, Z., Lyubinetsky, I., & Rousseau, R. (2010) · Progress in Surface Science · doi:10.1016/j.progsurf.2010.03.001 · Cited by 310
Self-energy and excitonic effects in the electronic and optical properties ofTiO2crystalline phases
Chiodo, L., García-Lastra, J. M., Iacomino, A., Ossicini, S., Zhao, J., Petek, H., & Rubio, A. (2010) · Physical Review B · doi:10.1103/physrevb.82.045207 · Cited by 275
Self-citationSurface point defects on bulk oxides: atomically-resolved scanning probe microscopy
Setvín, M., Wagner, M., Schmid, M., Parkinson, G. S., & Diebold, U. (2017) · Chemical Society Reviews · doi:10.1039/c7cs00076f · Cited by 134
Metadata
- Authors
- Minato, T., Sainoo, Y., Kim, Y., Kato, H. S., Aika, K.-I., Kawai, M., Zhao, J., Petek, H., Huang, T., He, W., Wang, B., Wang, Z., Zhao, Y., Yang, J., & Hou, J. G.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2009-03-23
- Volume
- 130
- Issue
- 12
- Pages
- 124502-124502
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2041836983
- Cited by
- 218
- References
- 1
- FWCI
- 9.97
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface. https://app.cochat.ai/papers/10.1063/1.3082408
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- Minato, T., Sainoo, Y., Kim, Y., Kato, H. S., Aika, K.-I., Kawai, M., Zhao, J., Petek, H., Huang, T., He, W., Wang, B., Wang, Z., Zhao, Y., Yang, J., & Hou, J. G. (2009). The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface. The Journal of Chemical Physics. https://doi.org/10.1063/1.3082408
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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