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

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 gPd–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.