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Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiOx
Abstract
Mixed nickel–iron oxides have recently emerged as promising electrocatalysts for water oxidation because of their low cost and high activity, but the composition and structure of the catalyst’s active phase under working conditions are not yet fully established. We present here density functional theory calculations with on-site Coulomb repulsion of the energetics of the oxygen evolution reaction (OER) on selected surfaces of pure and mixed Ni–Fe oxides that are possible candidates for the catalyst’s active phase. The investigated surfaces are pure β-NiOOH(011̅5) and γ-NiOOH(101), Fe-doped β-NiOOH(011̅5) and γ-NiOOH(101), NiFe 2 O 4 (001), and Fe 3 O 4 (001). We find that Fe-doped β-NiOOH(011̅5) has by far the lowest overpotential (η = 0.26 V), followed by NiFe 2 O 4 (001) (η = 0.42 V). Our results indicate that Fe-doped β-NiOOH and, to a lesser extent, NiFe 2 O 4 could be the phases responsible for the enhanced OER activity of NiO x when it is doped with Fe.
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Cites
Electrochemical Photolysis of Water at a Semiconductor Electrode
FUJISHIMA, A., & HONDA, K. (1972) · Nature · doi:10.1038/238037a0 · Cited by 34,169
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769
Cited by
Electrocatalysis for the oxygen evolution reaction: recent development and future perspectives
Suen, N.-T., Hung, S.-F., Quan, Q., Zhang, N., Xu, Y.-J., & Chen, H. M. (2017) · Chemical Society Reviews · doi:10.1039/c6cs00328a · Cited by 6,307
Chatenet, M., Pollet, B. G., Dekel, D. R., Dionigi, F., Deseure, J., Millet, P., Braatz, R. D., Bazant, M. Z., Eikerling, M., Staffell, I., et al. (2022) · Chemical Society Reviews · doi:10.1039/d0cs01079k · Cited by 2,025
Direct Electrolytic Splitting of Seawater: Opportunities and Challenges
Dresp, S., Dionigi, F., Klingenhof, M., & Strasser, P. (2019) · ACS Energy Letters · doi:10.1021/acsenergylett.9b00220 · Cited by 1,272
Jiang, J., Sun, F., Zhou, S., Hu, W., Zhang, H., Dong, J., Jiang, Z., Zhao, J., Li, J., Yan, W., et al. (2018) · Nature Communications · doi:10.1038/s41467-018-05341-y · Cited by 1,020
Recent Progress on Multimetal Oxide Catalysts for the Oxygen Evolution Reaction
Kim, J. S., Kim, B., Kim, H., & Kang, K. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201702774 · Cited by 940
Metadata
- Authors
- Li, Y.-F., & Selloni, A.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-03-10
- Volume
- 4
- Issue
- 4
- Pages
- 1148-1153
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2321024025
- Cited by
- 506
- References
- 2
- FWCI
- 11.90
- Type
- journal article
- Language
- en
- Open access
- closed
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- Li, Y.-F., & Selloni, A. (2014). Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiOx. ACS Catalysis. https://doi.org/10.1021/cs401245q
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