Manganese–Palladium Dual-Atom Catalyst Boosts Direct H2O2 Synthesis beyond 2 wt % at Atmospheric Conditions

Abstract

Direct synthesis of hydrogen peroxide (H₂O₂) from H₂ and O₂ is appealing due to its nonpolluting nature, yet it is still very challenging to meet both high productivity and selectivity. In this work, a simple strategy was developed to synthesize a highly efficient dual-atom catalyst with a Mn atom inherited from nature biomass and a Pd atom artificially synthesized, which boosts a very high H₂O₂ productivity of 46,798 mmol g_Pd^–1 h^–1 and high selectivity of 89% even under atmospheric conditions (1 atm, 25 °C). Such high-efficiency catalysis enabled the production of a H₂O₂ solution with concentration beyond 2 wt %, which has not been achieved in earlier work. Experimental characterizations revealed the great H₂ dissociation capability on the Pd–Mn/SMC (SMC = sylvestris mesoporous carbon) catalyst that was responsible for the high productivity. Theoretical calculations confirmed the favorable hydrogenation of undissociated O₂ to H₂O₂ on the Pd–Mn dual-atom structure, which thus achieved high selectivity. Overall, this work provides a simple perspective on the utilization of natural species in biomass for single-atom structure fabrication and catalyst development for emerging applications.