Symmetry dependent activation and reactivity of peroxysulfates on FeS₂(001) surface

The activation of peroxymonosulfate and peroxydisulfate strongly depends on their symmetry, where the peroxide O–O bond in asymmetric peroxymonosulfate is spontaneously dissociated to generating nonradical ≡Fe IV =O upon FeS 2 (001) surface, while the O–S bond attached to the substituent –SO 3 group in symmetric peroxydisulfate is preferentially activated to forming radical •O 2 − , imparting unique reactivity to different pollutants.