Synthesis of (0 0 1) surface-oriented BiOBr for improved photocatalytic H2O2 production performance

The photocatalytic production of hydrogen peroxide is a sustainable approach to producing oxygen and water. In this work, the microspheres flake-like, sheet-like, and flower-like BiOBr were by varying different solvents during the reaction process. The investigation revealed that the highest hydrogen peroxide production of 294 μmol g −1 h −1 was obtained for BiOBr(0 0 1). Their physico-chemical properties are fully investigated by XRD, SEM, XPS, ESR, and DFT calculation, which confirmed the exposure surface of BiOBr has a close relationship with the oxygen vacancy concentration, and BiOBr(0 0 1) has the highest oxygen vacancy concentration (oxygen vacancy formation energy 4.17 eV) and the best photocatalytic effect. DFT calculation also showed that the introduction of oxygen vacancies increased the adsorption and activation capacity of O 2 and greatly reduced the Gibbs free energy of the reaction pathway.