Sunlight‐Driven Hydrogen Peroxide Production from Water and Molecular Oxygen by Metal‐Free Photocatalysts

Design of green, safe, and sustainable process for the synthesis of hydrogen peroxide (H2 O2 ) is a very important subject. Early reported processes, however, require hydrogen (H2 ) and palladium-based catalysts. Herein we propose a photocatalytic process for H2 O2 synthesis driven by metal-free catalysts with earth-abundant water and molecular oxygen (O2 ) as resources under sunlight irradiation (λ>400 nm). We use graphitic carbon nitride (g-C3 N4 ) containing electron-deficient aromatic diimide units as catalysts. Incorporating the diimide units positively shifts the valence-band potential of the catalysts, while maintaining sufficient conduction-band potential for O2 reduction. Visible light irradiation of the catalysts in pure water with O2 successfully produces H2 O2 by oxidation of water by the photoformed valence-band holes and selective two-electron reduction of O2 by the conduction band electrons.