Organophosphorous pesticide removal from water by graphene-based materials – Only adsorption or something else as well? Scientific paper

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Vladan Anićijević
Marko Jelić
Aleksandar Jovanović
Nebojša Potkonjak
Igor Pašti
Tamara Lazarević-Pašti


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


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V. Anićijević, M. Jelić, A. Jovanović, N. Potkonjak, I. Pašti, and T. Lazarević-Pašti, “Organophosphorous pesticide removal from water by graphene-based materials – Only adsorption or something else as well? Scientific paper”, J. Serb. Chem. Soc., vol. 86, no. 7-8, pp. 699–710, Aug. 2021.
Physical Chemistry


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