In this study, we investigate the adsorption capability of molybdenum sulfide (MoS₂)/thiol-functionalized multiwalled carbon nanotube (SH-MWCNT) nanocomposite for rapid and efficient removal of heavy metals [Pb(II) and Cd(II)] from industrial mine water. The MoS₂/SH-MWCNT nanocomposite was synthesized by acid treatment and sulfurization of MWCNTs followed by a facile hydrothermal reaction technique using sodium molybdate and diethyldithiocarbamate as MoS₂ precursors. Morphological and chemical features of the nanocomposite material were studied using various characterization techniques. Furthermore, the effects of adsorbent (MoS₂/SH-MWCNT nanocomposite) concentration, contact time, initial concentration of heavy-metal ions, and reaction temperature were examined to determine the efficiency of the adsorption process in batch adsorption experiments. Kinetics and isotherm studies showed that the adsorption process followed pseudo-second-order and Freundlich adsorption isotherm models, respectively. Thermodynamic parameters calculated using van't Hoff plots show the spontaneity and endothermic nature of adsorption. MoS₂/SH-MWCNT nanocomposite demonstrates a high adsorption capacity for Pb(II) (90.0 mg g^-1) and Cd(II) (66.6 mg g^-1) following ion-exchange and electrostatic interactions. Metal-sulfur complex formation was identified as the key contributor for adsorption of heavy-metal ions followed by electrostatic interactions for multilayer adsorption. Transformation of adsorbent into PbMoO_4-x S _x and CdMoO_4-x S _x complex because of the adsorption process was confirmed by X-ray diffraction and scanning electron microscopy-energy-dispersive spectrometry. The spent adsorbent can further be used for photocatalytic and electrochemical applications; therefore, the generated secondary byproducts can also be employed for other purposes.

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