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MoS<sub>2</sub> Modification to Enhance the Removal of Various Chlorinated Hydrocarbons by Zerovalent Iron

Jialin Chen, Yiran Feng, Yabo Liu, Peng Fan, Zhimin Ao, Hejie Qin, Xiaohong Guan

2025Environmental Science & Technology11 citationsDOI

Abstract

Various methods have been developed to enhance the performance of zerovalent iron (ZVI) for chlorinated hydrocarbon (CHC) removal, but their applicability across diverse CHCs remains limited. Here, we present a MoS 2 modification strategy to address these challenges. MoS 2 -modified ZVI (MoS 2 -ZVI) exhibited dechlorination rate constants that are 1.25 to 54 times those obtained with ZVI, for eight representative CHCs, with significantly fewer incompletely dechlorinated products. The electron efficiency values increased to 2.7–26.5 times, with the synchronously inhibited H 2 evolution possibly resulting from the increased hydrophobicity caused by MoS 2 modification. While H • contributes to the reduction of certain CHCs, the enhancement by MoS 2 is mainly attributed to improved electron transfer at the surface. Characterization results revealed partial integration of MoS 2 with ZVI and the presence of sulfur vacancies on MoS 2 surfaces in MoS 2 -ZVI. Electrochemical experiments with separated ZVI and MoS 2 bm in different compartments identified sulfur vacancies as the reactive sites. In situ Fourier transform infrared spectroscopy and density functional theory results demonstrated that CHCs adsorb at Mo sites exposed by sulfur vacancies, and this process is facilitated by the integrated effects of underlying ZVI. The dechlorination of CHCs subsequently occurs with the electrons transferred from ZVI to the surface-bonded CHC through the MoS 2 layer. This study provides a broadly applicable modification strategy for achieving rapid, full, and selective dechlorination of a wide range of CHCs.

Topics & Concepts

Zerovalent ironAdsorptionSulfurFourier transform infrared spectroscopyChemistryElectron transferSurface modificationInorganic chemistryRedoxElectrochemistryDensity functional theoryChemical engineeringPhotochemistryOrganic chemistryPhysical chemistryComputational chemistryEngineeringElectrodeEnvironmental remediation with nanomaterialsArsenic contamination and mitigationGraphene research and applications
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