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Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution
Abstract
The oxygen evolution reaction (OER) on the rutile MTiO 2(110) (M=V, Nb, Ta, Cr, Mo, W, Mn, Fe, Ru, Ir, Ni) surfaces was investigated by using density functional theory calculations. The stability of different doped TiO 2 systems was analyzed. The scaling relationship between the binding energies of OER intermediates (HOO* versus HO*) is found to follow essentially the same trend as for undoped oxides. Our theoretical analysis shows a lower overpotential associated with OER on the doped MTiO 2(110) than on the undoped TiO 2(110). The theoretical activity of Cr‐, Mo‐, Mn‐, and Ir‐doped TiO 2 is found to be close to that of RuO 2(110) for some of the configurations in consideration.
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Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Self-citationPhotocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
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Dresselhaus, M. S., & Thomas, I. L. (2001) · Nature · doi:10.1038/35104599 · Cited by 4,894
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Metadata
- Authors
- García‐Mota, M., Vojvodic, A., Metiu, H., Man, I. C., Su, H., Rossmeisl, J., & Nørskov, J. K.
- Venue
- ChemCatChem
- Publisher
- Wiley
- Published
- 2011-08-25
- Volume
- 3
- Issue
- 10
- Pages
- 1607-1611
- ISSN
- 1867-3880 (ISSN-L)
- 1867-3899
- OpenAlex
- W2026541176
- Cited by
- 215
- References
- 5
- FWCI
- 4.20
- Type
- journal article
- Language
- en
- Open access
- closed
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- García‐Mota, M., Vojvodic, A., Metiu, H., Man, I. C., Su, H., Rossmeisl, J., & Nørskov, J. K. (2011). Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution. ChemCatChem. https://doi.org/10.1002/cctc.201100160
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