Persulfate activation by two-dimensional MoS 2 confining single Fe atoms: Performance, mechanism and DFT calculations.

•Two-dimensional MoS2 confining single Fe atoms was synthesized.•Sulfate radicals were generated via persulfate activation by FexMo1-xS2 catalyst.•Dual Fe and Mo catalytic sites and their interaction enhance catalytic performance.•The catalytic performance of FexMo1-xS2 was interpreted by DFT calculations.•Various organic pollutants can be removed in a real water environment.