Physisorption Behaviors of Organochlorine Pesticides on the InP3 Monolayer from Theoretical Insight
Xin Qin,
Hao Cui,
Qiulan Zhou
Abstract:Dichlorodiphenyltrichloroethane
(DDT), hexachlorocyclohexane (BHC),
aldrin, and chlordimeform are ubiquitous organochlorine pesticide
(OCP) residues in the environment, which pose a great threat to human
health and ecosystems due to their high toxicity and easy accumulation.
Based on the density functional theory (DFT) calculations, a two-dimensional
InP
3
monolayer was selected as a sensing material to study
the sensitivity detection and adsorption behaviors toward BHC, aldrin,
chlordim… Show more
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