Dual‐ Sabatier Optima: How Reaction Mechanism Determines Activity Volcano Map of Dual‐Atom Catalysts for Oxygen Reduction Reaction

dissociation → 2OH protonation → OH protonation), which can be extended across DACs containing transition metal, metal-like, and non-metal elements as center atoms. It opens a brand-new perspective for rational design of DACs and atomically dispersed catalysts for other reactions beyond ORR, of which the dominant reaction mechanism may be different from single-atom catalysts (SACs) and lead to diverse activity volcano maps. Most importantly, this work illustrates that new phenomenon can be identified from "old experimental data" under a large data scale, with the help of theoretical simulations integrated with interpretable ML.