Mailde S. Ozório

Stable and Active AuCu and AuPd Electrocatalysts for Platinum-Free Oxygen Reduction Reaction: Design Principles from Ligand–Strain Coupling and Gold Surface Segregation

Abstract Surface–subsurface partitioning of alloying elements affects stability, strain, and adsorption energetics in heterogeneous catalysis yet remains difficult to control. Here, we use first-principles calculations and atomistic modeling to show that AuM binary alloys (M = Cu...