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Optimal Geometrical Configuration of Cobalt Cations in Spinel Oxides to Promote Oxygen Evolution Reaction
Abstract
MgCo 2 O 4, CoCr 2 O 4, and Co 2 TiO 4 were selected, where only Co 3+ in the center of octahedron (Oh), Co 2+ in the center of tetrahedron (Td), and Co 2+ in the center of Oh, can be active sites for the oxygen evolution reaction (OER). Co 3+(Oh) sites are the best geometrical configuration for OER. Co 2+(Oh) sites exhibit better activity than Co 2+(Td). Calculations demonstrate the conversion of O* into OOH* is the rate‐determining step for Co 3+(Oh) and Co 2+(Td). For Co 2+(Oh), it is thermodynamically favorable for the formation of OOH* but difficult for the desorption of O 2. Co 3+(Oh) needs to increase the lowest Gibbs free energy over Co 2+(Oh) and Co 2+(Td), which contributes to the best activity. The coexistence of Co 3+(Oh) and Co 2+(Td) in Co 3 O 4 can promote the formation of OOH* and decrease the free‐energy barrier. This work screens out the optimal geometrical configuration of cobalt cations for OER and gives a valuable principle to design efficient electrocatalysts.
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Cites
Han, L., Yu, X., & Lou, X. W. (. (2016) · Advanced Materials · doi:10.1002/adma.201506315 · Cited by 633
Cited by
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
Yu, M., Budiyanto, E., & Tüysüz, H. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202103824 · Cited by 771
Sun, Y., Xue, Z., Liu, Q., Jia, Y., Li, Y., Liu, K., Lin, Y., Liu, M., Li, G., & Su, C.-Y. (2021) · Nature Communications · doi:10.1038/s41467-021-21595-5 · Cited by 687
Sun, H., Xu, X., Kim, H., Jung, W., Zhou, W., & Shao, Z. (2023) · ENERGY & ENVIRONMENTAL MATERIALS · doi:10.1002/eem2.12441 · Cited by 601
Zhu, Y., Wang, J., Koketsu, T., Kroschel, M., Chen, J.-M., Hsu, S.-Y., Henkelman, G., Hu, Z., Strasser, P., & Ma, J. (2022) · Nature Communications · doi:10.1038/s41467-022-35426-8 · Cited by 420
Metadata
- Authors
- Liu, Z., Wang, G., Zhu, X., Wang, Y., Zou, Y., Zang, S., & Wang, S.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2020-01-31
- Volume
- 59
- Issue
- 12
- Pages
- 4736-4742
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2998441827
- Cited by
- 209
- References
- 1
- FWCI
- 5.26
- Type
- journal article
- Language
- en
- Open access
- closed
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- Liu, Z., Wang, G., Zhu, X., Wang, Y., Zou, Y., Zang, S., & Wang, S. (2020). Optimal Geometrical Configuration of Cobalt Cations in Spinel Oxides to Promote Oxygen Evolution Reaction. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201914245
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