Oxygenated boron-doped carbon via polymer dehalogenation as an electrocatalyst for high-efficiency O2 reduction to H2O2

The direct electrochemical synthesis of H2O2 from O2 is currently the most promising alternative to energy-intensive industrial anthraquinone oxidation/reduction methods. However, its widespread use hampered by lack efficient low-cost electrocatalysts. In current study, oxygenated boron-doped carbon (O-BC) materials were realized via a green synthetic strategy involving polymer dehalogenation and employed as electrode for H2O2via 2e− oxygen reduction. catalytic activity O-BC was optimized through systematic variation boron source (H3BO3) dosage annealing temperature. Electrochemical measurements revealed that optimal sample (O-BC-2-650) exhibited selectivity 98% reduction an average production rate 412.8 mmol gcat−1 h−1 in H-type alkaline electrolyzer. Density functional theory simulations indicated functionalization active B sites with one atom provides lowest Gibbs free energy change (ΔG) 0.03 eV hydrogenation *O2, while zero or two O atoms results much larger ΔG values (0.08 0.10 eV, respectively). Thus, this work details new type green, low-cost, metal-free electrocatalyst production.