Involvement of CN Sites in Solvothermally Engineered Metal‐Free Carbon Material From Weed <scp><i>Lantana camara</i></scp> for the Detection of Mercury Ions: Experimental and DFT Insights

Embarking on a journey to decipher the role of active sites in the detection and removal of toxic mercury(II) ions from polluted water, the surface of thermally engineered biomass derived carbon matrix NC-180 was customized with nitrogen atoms. The HR-TEM and XRD analyses revealed the amorphous nature of Lantana camara derived carbon material with small spherical flakes embedded in it. XPS analysis indicated the presence of pyrrolic, pyridinic, and graphitic N atoms, which was further confirmed by FT-IR analysis. The material shows quenching effect in presence of Hg²⁺ ions resulting in the "turn off" effect with a detection limit of 7.2 nM. The activity of NC-180 was recovered through "turn on" effect in the presence of L-cysteine. Furthermore, the mystery of binding of mercury(II) ions with N-sites is clarified through its comparison with other materials bearing sulfur and oxygen functional groups designated as AC-180, SC-180, and NSC-180. The conclusive evidence for efficient binding of nitrogen sites in NC-180 with mercury(II) ions is derived from various analyses, including ¹H-NMR, FT-IR, XPS, and density functional theory. Notably, sustainability is achieved through utilization of toxic weed L. camara for the preparation of this selective carbon material for detection and adsorption of mercury(II) ions.