Curved interface-induced Jahn-Teller effect in single-atom catalysts for water purification.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 41381422.
- Also identified by DOI 10.1038/s41467-025-66043-w and PMC identifier 12698853.
- Licence recorded as CC BY-NC-ND.
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Abstract
Single-atom catalysts (SACs)-based advanced oxidation processes (AOPs) are an ideal green and efficient water purification technology, but intrinsic mechanisms and interface effects pose significant challenges. Herein, we have achieved precise Jahn-Teller (J-T) effect control of atomic metal-N<sub>4</sub>-C (M-N<sub>4</sub>-C: M = Mn, Fe, Co, and Ni) to boost the AOPs, showing a volcano-fit-like behavior. Theoretical calculation and experiments reveal the adsorption of O-O of peroxymonosulfate on the M-N<sub>4</sub>-C site, leading to the local C plane bending and inducing the intensity of the J-T effect of Mn, Fe and Co, weakening the d-p orbital hybridization ability with *HSO<sub>4</sub> intermediates for reducing the energy barrier for reactive oxygen species production. Importantly, the long-term activity of 100 h in a 20 L flow reactor indicates promising practical wastewater treatment on an industrial scale. This work presents a perspective on the rational design of tuning the metal d orbital in SACs for sustainable environmental remediation.