Atomically precise Au₈Pd₁(DPPF)₄²⁺ catalyst orchestrates the synthesis and utilization of hydrogen peroxide.

Abstract

Atomically precise metal clusters that merge structural clarity, functional modularity, and tunable spatial programmability have gained momentum over the past decade. Here, we report the catalysis of an atomically precise Au₈Pd₁(DPPF)₄²⁺ (DPPF = 1,1'-bis(diphenylphosphino)ferrocene) cluster in the synthesis and utilization of hydrogen peroxide. The cluster shows a concerto-like synergy of metal core and surface ligand in the entire catalytic process, in which the metal core catalyzes the reaction of formic acid and oxygen to produce H₂O₂, and subsequently DPPF ligands work with the core to drive the conversion of H₂O₂ into hydroxyl radicals. Notably, with the computational fluid dynamics simulation assistance, the heterogeneous catalyst from the assembly of Au₈Pd₁(DPPF)₄²⁺ clusters into mesoporous Al₂O₃ monolith enables continuous generation and utilization of H₂O₂ performed in the fixed-bed reactor. This work offers an alternative route for the efficient upgrading of H₂O₂ synthesis and application.