The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Surface Charge and Electrostatic Spin Crossover Effects in CoN4 Electrocatalysts
Abstract
Carbon materials doped with nitrogen and 3d transition metals have attracted a great deal of interest for catalyzing electrochemical reactions such as water splitting, oxygen reduction, and carbon dioxide reduction. Here, we employed density functional theory to study Co–N-doped carbon as electrocatalysts for the oxygen reduction and oxygen evolution reactions. Specifically, we investigated the interplay among adsorption energies, the spin state of the CoN 4 active center, and the applied potential. We found that adsorption energies strongly depend on both the applied potential and the spin state of the Co center. Furthermore, spin state transitions induced by the applied potential also play an important role in determining the adsorption energies. This effect originates from a different potential of zero charge and capacitance of each spin state.
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Cites
High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt
Wu, G., More, K. L., Johnston, C. M., & Zelenay, P. (2011) · Science · doi:10.1126/science.1200832 · Cited by 3,984
Cited by
Chen, S., Luo, T., Li, X., Chen, K., Fu, J., Liu, K., Cai, C., Wang, Q., Li, H., Chen, Y., et al. (2022) · Journal of the American Chemical Society · doi:10.1021/jacs.2c01194 · Cited by 560
Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts
Wan, W., Zhao, Y., Wei, S., Triana, C. A., Li, J., Arcifa, A., Allen, C. S., Cao, R., & Patzke, G. R. (2021) · Nature Communications · doi:10.1038/s41467-021-25811-0 · Cited by 432
Zheng, T., Wang, J., Xia, Z., Wang, G., & Duan, Z. (2023) · Journal of Materials Chemistry A · doi:10.1039/d3ta03271j · Cited by 54
Self-citationLi, H., Tian, F., & Duan, Z. (2025) · Chemical Science · doi:10.1039/d5sc03057a · Cited by 16
Self-citationSpin-Orientation-Dependent O2 Adsorption Mechanism in Fe Single-Atom Catalysts
Xie, J., & Duan, Z. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.4c05219 · Cited by 13
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Metadata
- Authors
- Duan, Z., & Henkelman, G.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2020-09-25
- Volume
- 10
- Issue
- 20
- Pages
- 12148-12155
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W3089261827
- Cited by
- 176
- References
- 1
- FWCI
- 2.70
- Type
- journal article
- Language
- en
- Open access
- closed
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