The　severe　hazards　on　ecological　environment　and　human　body　caused　by　volatile　organic　compounds　(VOCs)　have　attracted　worldwide　substantial　attention.　In　this　research,　a　series　of　novel　modified　Universitetet　i　Oslo-67　(UiO-67)　with　water　resistance　were　prepared　and　characterized,　which　had　modified　by　benzoic　acid　and　dopamine　hydrochloride　(67-ben-DH).　On　this　basis,　the　adsorption　performance,　adsorption　kinetics,　defect　engineering　and　water　resistance　of　adsorbent　were　investigated.　The　results　indicated　that　the　excellent　pore　structure　and　specific　surface　area　of　67-ben-DH-6　(molar　ratio　of　Zr4+　to　DH　was　1:6)　were　retained　while　the　adsorption　performance　and　water　resistance　of　the　adsorbent　were　improved.　Due　to　more　defects,　excellent　adsorption　diffusion　and　strong　7C　-7C　interactions　of　67-ben-DH-6,　it　performed　the　maximum　adsorption　capacity　of　toluene　(793　mg　g-1).　Furthermore,　the　outstanding　water　resistance　was　attributed　to　the　fact　that　N　element　of　DH　reduced　the　affinity　of　the　adsorbent　with　water.　Finally,　the　density　functional　theory　(DFT)　calculations　showed　that　the　adsorbent　67-ben-DH-6　had　the　maximum　adsorption　energy　for　toluene　(-99.4　kJ　mol-1)　and　the　minimum　adsorption　energy　for　water　(-17.8　kJ　mol-1).　Thus,　the　potential　mechanism　of　67-ben-DH　for　efficient　toluene　adsorption　and　water　resistance　was　verified　from　a　microscopic　perspective.