Insufficient　separation　of　photogenerated　charges　significantly　hinders　the　development　of　semiconductor-based　photocatalytic　technologies.　Coupling　piezoelectric　Coupling　piezoelectric　effects　with　oxygen　vacancies　(OVs)　effectively　promotes　bulk　charge　separation,　enhancing　photocatalytic　removal　of　emerging　contaminants.　MoS2/BiOIO3　(MBI),　a　II-scheme　heterojunction　material　with　OVs,　was　synthesized　via　a　simple　hydrothermal　method.　Combining　experimental　investigations　with　density　functional　theory　(DFT),　we　delved　into　the　redox　mechanisms　of　17β-estradiol　(17β-E2).　The　results　demonstrated　91.4　%　degradation　of　17β-E2　by　MBI-5　%　within　15　min　under　photocatalysis.　When　applying　piezo-photocatalysis,　nearly　100　%　degradation　was　achieved　in　the　same　duration.　The　reaction　rate　constant　was　1.69　times　that　of　the　photocatalysis　alone.　The　significant　performance　enhancement　is　attributed　to　the　synergistic　effects　of　the　piezoelectric　effect　and　OVs.　Additionally,　DFT　analysis　identified　the　vulnerable　sites　of　17β-E2　and　revealed　potential　degradation　pathways.　Finally,　the　application　experiments　with　distinct　focuses　further　validated　the　superior　performance　of　MBI　nanomaterials.　This　study　provides　a　reliable　reference　for　applying　piezoelectric　photocatalysts　with　OVs　to　treat　water　environment　contaminated　by　emerging　pollutants.　©　2025　Elsevier　B.V.