The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential
Open accessAbstract
A major roadblock in realizing large-scale production of hydrogen via electrochemical water splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction (OER). Computational research has driven important developments in understanding and designing heterogeneous OER catalysts using linear scaling relationships derived from computed binding energies. Herein, we interrogate 17 of the most active molecular OER catalysts, based on different transition metals (Ru, Mn, Fe, Co, Ni, and Cu), and show they obey similar scaling relations to those established for heterogeneous systems. However, we find that the conventional OER descriptor underestimates the activity for very active OER complexes as the standard approach neglects a crucial one-electron oxidation that many molecular catalysts undergo prior to O–O bond formation. Importantly, this additional step allows certain molecular catalysts to circumvent the “overpotential wall”, leading to enhanced performance. With this knowledge, we establish fundamental principles for the design of ideal molecular OER catalysts.
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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
Oxygen Evolution Reaction in Alkaline Environment: Material Challenges and Solutions
Xie, X., Du, L., Yan, L., Park, S., Qiu, Y., Sokolowski, J., Wang, W., & Shao, Y. (2022) · Advanced Functional Materials · doi:10.1002/adfm.202110036 · Cited by 792
Computational chemistry for water-splitting electrocatalysis
Miao, L., Jia, W., Cao, X., & Jiao, L. (2024) · Chemical Society Reviews · doi:10.1039/d2cs01068b · Cited by 241
Influencing electrocatalytic processes through topographically disordered atomic sites
Prabhu, P., & Lee, J.-M. (2023) · Chem Catalysis · doi:10.1016/j.checat.2023.100621 · Cited by 84
Metadata
- Authors
- Craig, M. J., Coulter, G., Dolan, E., Soriano-López, J., Mates-Torres, E., Schmitt, W., & García-Melchor, M.
- Venue
- Nature Communications
- Published
- 2019-11-08
- Volume
- 10
- Issue
- 1
- Pages
- 4993-4993
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W2974389001
- Cited by
- 291
- References
- 13
- FWCI
- 5.88
- Type
- journal article
- Language
- en
- Open access
- gold
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