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Article Abstract
Advancements in single-atom-based catalysts are crucial for enhancing oxygen evolution reaction (OER) performance while reducing precious metal usage. A comprehensive understanding of underlying mechanisms will expedite this progress further. Here we report Ir single atoms coordinated out-of-plane with dimethylimidazole (MI) on CoFe hydroxide (Ir/(Co,Fe)-OH/MI). This Ir/(Co,Fe)-OH/MI catalyst, which was prepared using a simple immersion method, delivers ultralow overpotentials of 179 mV at a current density of 10 mA cm and 257 mV at 600 mA cm as well as an ultra-small Tafel slope of 24 mV dec. Furthermore, Ir/(Co,Fe)-OH/MI has a total mass activity exceeding that of commercial IrO by a factor of 58.4. Ab initio simulations indicate that the coordination of MI leads to electron redistribution around the Ir sites. This causes a positive shift in the d-band centre at adjacent Ir and Co sites, facilitating an optimal energy pathway for OER.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11750697 | PMC |
| http://dx.doi.org/10.1038/s41565-024-01807-x | DOI Listing |
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