Organophosphorous pesticide removal from water by graphene-based materials - only adsorption or something else as well?

The extensive use of pesticides requires innovative approaches to remove these compounds from the environment. Carbon materials are traditionally used as adsorbents for removing pesticides, and development new sorts carbon allows more advanced in environmental applications. Using density functional calculations, we have predicted chemical reaction between S(O)=P moieties organophosphates with point defects graphene ? single vacancies, Stone?Wales epoxy- -groups. was confirmed using ultra high performance chromatography two oxide samples dimethoate a representative organophosphates. exact mechanism is still elusive, but it unambiguously that no selective oxidation toxic oxo-analog occurs. presented results can help develop novel systems irreversible conversion non-toxic compounds, without aggressive agents or external physical factors like UV radiation.