Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom...

We discuss a simple yet effective strategy for escaping traditional linear scaling relations in heterogeneous catalysis with highly dilute bimetallic alloys known as single-atom alloys (SAAs). These systems, in which a reactive metal is atomically dispersed in a less reactive host, were first demonstrated with the techniques of surface science to be active and selective for hydrogenation reactions. Informed by these early results, PdCu and PtCu SAA nanoparticle hydrogenation catalysts were shown to work under industrially relevant conditions. To efficiently survey the many potential metal combinations and reactions, simulation is crucial for making predictions about reactivity and guiding experimental focus on the most promising candidate materials. This recent work reveals that the high surface chemical heterogeneity of SAAs can result in significant deviations from Brønsted-Evans-Polanyi scaling relationships for many key reaction steps. These recent insights into SAAs and their ability to break linear scaling relations motivate discovery of novel alloy catalysts.