Direct Synthesis of H 2 O 2 by Spatially Separate Hydrogen and Oxygen Activation Sites on Tailored Pt–Au Catalysts

Abstract The direct synthesis of H 2 O 2 is considered an atom‐efficient, environmentally friendly, and sustainable alternative to replace the current industrial route of the anthraquinone oxidation process. To date a viable direct replacement for the current industrial method of H 2 O 2 production has yet to emerge, owing to the strong dissociation abilities of traditional Pd‐based catalysts for both H 2 and O 2 , which results in the over hydrogenation of H 2 O 2 and limited catalytic activity. To address these concerns, this work outlines a novel non‐Pd‐based catalyst (Pt 1 Au n /TiO 2 ), consisting of spatially separated H 2 and O 2 activation sites, which offers H 2 O 2 selectivity (∼100%) and productivity (128.6 mol·g N.M. −1 ·h −1 ), in excess of state‐of‐the‐art formulations. Crucially, via consecutive reactions, this system achieves net H 2 O 2 concentrations approaching 4 wt.%, which is double that generated in the initial stages of the Anthraquinone Oxidation Process. A detailed mechanistic study indicates that Pt single atoms selectively dissociate H 2 , while Au nanoparticles stabilize non‐dissociative *O 2 − species. The H 2 O 2 formation proceeds through CH 2 O‐mediated hydrogen transfer, generating a hydrogen carrier (*CH 2 OH) that subsequently reacts with *O 2 − to produce H 2 O 2 .