Catalytically Active Au Layers Grown on Pd Nanoparticles for Direct Synthesis of H₂O₂: Lattice Strain and Charge-Transfer Perspective Analyses

Despite its effectiveness in improving the properties of materials, strain engineering has not yet been employed to endow catalytic characteristics to apparently nonactive metals. This limitation can be overcome by controlling simultaneously lattice strains and charge transfer originated from the epitaxially prepared bimetallic core–shell structure. Here, we report the experimental results of the direct H2O2 synthesis enabled by a strained Au layer grown on Pd nanoparticles. This system can benefit the individual catalytic properties of each involved material, and the heterostructured catalyst displays an improved productivity for the direct synthesis of H2O2 by ∼100% relative to existing Pd catalysts. This is explained here by exploring the individual effects of lattice strain and charge transfer on the alteration of the electronic structure of ultrathin Au layers grown on Pd nanoparticles. The approach used in this study can be viewed as a means of designing catalysts with multiple catalytic functions.