Tuning reactivity in trimetallic dual-atom alloys: molecular-like electronic states and ensemble effects.

Single-atom alloys (SAAs) have drawn significant attention in recent years due to their excellent catalytic properties. Controlling the geometry and electronic structure of this type of localized catalytic active site is of fundamental and technological importance. Dual-atom alloys (DAAs) consisting of a heterometallic dimer embedded in the surface layer of a metal host would bring increased tunability and a larger active site, as compared to SAAs.