Surface lattice oxygen mobility inspired peroxymonosulfate activation over Mn2O3 exposing different crystal faces toward bisphenol A degradation

The rod-like, spherical, flake-like and granular Mn2O3 microcrystals exposing different crystal faces were pre-pared and used for peroxymonosulfate (PMS) activation to degrade bisphenol A (BPA). Granular Mn2O3-P exposing (211) and (222) crystal faces displayed the superior degradation efficiency toward BPA than the other three samples. DFT results pointed out that the migration energy barriers of lattice oxygen on crystal faces (222) and (211) were lower than that of face (400). Moreover, the adsorption energies of PMS molecules on faces (222) and (211) were more negative. The high lattice oxygen migration of faces (211) and (222) and MnIV- MnIII/II conversion were contributory to the generation of oxygen vacancies to adsorb PMS and O2, leading to the production of more active species (SO4.-, .OH and 1O2) in the catalytic process. This work contributes an excellent catalyst with efficient catalytic performance and cycle stability for water pollution treatment.

Automated summary

In this study, rod-like, spherical, flake-like, and granular Mn2O3 microcrystals exposing different crystal faces were prepared. Among them, the granular Mn2O3-P samples with (211) and (222) crystal faces displayed superior degradation efficiency towards BPA. DFT results showed that the migration energy barriers of lattice oxygen and the adsorption energies of PMS molecules were lower and more negative on (211) and (222) faces, respectively. The high lattice oxygen migration and MnIV-MnIII/II conversion on (211) and (222) faces contributed to the generation of active species, leading to efficient catalytic performance for water pollution treatment.