DOI: 10.1002/cctc.201100160. Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO<sub>2</sub>(110) by Transition‐Metal Substitution

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution

10.1002/cctc.201100160

Crossref journal-article

Wiley

ChemCatChem (311)

Abstract

AbstractThe oxygen evolution reaction (OER) on the rutile MTiO2(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 TiO2 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 MTiO2(110) than on the undoped TiO2(110). The theoretical activity of Cr‐, Mo‐, Mn‐, and Ir‐doped TiO2 is found to be close to that of RuO2(110) for some of the configurations in consideration.

Bibliography

GarcÃaâMota, M., Vojvodic, A., Metiu, H., Man, I. C., Su, H., Rossmeisl, J., & NÃ¸rskov, J. K. (2011). Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by TransitionâMetal Substitution. ChemCatChem, 3(10), 1607â1611. Portico.

Authors 7

Mónica García‐Mota (first)
Aleksandra Vojvodic (additional)
Horia Metiu (additional)
Isabela C. Man (additional)
Hai‐Yan Su (additional)
Jan Rossmeisl (additional)
Jens K. Nørskov (additional)

References 54 Referenced 197

Dates

Type	When
Created	13 years, 11 months ago (Aug. 31, 2011, 10:53 p.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 2:22 a.m.)
Indexed	1 day, 16 hours ago (Aug. 27, 2025, 12:17 p.m.)
Issued	14 years ago (Aug. 25, 2011)
Published	14 years ago (Aug. 25, 2011)
Published Online	14 years ago (Aug. 25, 2011)
Published Print	13 years, 10 months ago (Oct. 17, 2011)

Funders 0

None

BibTeX

@article{Garc_a_Mota_2011, title={Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution}, volume={3}, ISSN={1867-3899}, url={http://dx.doi.org/10.1002/cctc.201100160}, DOI={10.1002/cctc.201100160}, number={10}, journal={ChemCatChem}, publisher={Wiley}, author={García‐Mota, Mónica and Vojvodic, Aleksandra and Metiu, Horia and Man, Isabela C. and Su, Hai‐Yan and Rossmeisl, Jan and Nørskov, Jens K.}, year={2011}, month=aug, pages={1607–1611} }

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