This article explores the development and performance of an iron-based layered perovskite oxyfluoride, Pb₃Fe₂O₅F₂, as a precious-metal-free electrocatalyst for the oxygen evolution reaction (OER). Researchers compared it to a cubic perovskite oxyfluoride, PbFeO₂F, and found Pb₃Fe₂O₅F₂ exhibited superior catalytic performance. This was attributed to the specific crystal facet (060), where fluorine ions’ strong electron-withdrawing properties enhanced the electronic states at active iron sites, reducing overpotential and increasing efficiency. The study combined experimental methods and density functional theory (DFT) to reveal that the unique layered structure and selective facet growth optimize OER activity. These findings provide insights into designing efficient, durable electrocatalysts using mixed-anion compounds without relying on rare metals.
For more details, please continue reading the full article under the following link:
https://pubs.acs.org/doi/10.1021/jacs.4c05740
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