Cu⁰-Functionalized, ZIF-8-Derived, Nitrogen-Doped Carbon Composites for Efficient Iodine Elimination in Solution

The development of copper-based materials with a high efficiency and low cost is desirable for use in iodine (I₂) remediation. Herein, Cu⁰-nanoparticles-functionalized, ZIF-8 (Zeolite Imidazole Framework-8)-derived, nitrogen-doped carbon composites (Cu@Zn-NC) were synthesized by ball milling and pyrolysis processes. The as-prepared composites were characterized using SEM, BET, XRD, XPS, and FT-IR analyses. The results showed that the morphology of ZIF-8 changed from a leaf-like structure into an irregular structure after the introduction of a copper salt and carbonization. The copper in the pyrolysis samples was mainly in the form of Cu⁰ particles. The presence of an appropriate amount of Cu⁰ particles could increase the specific surface area of Cu@Zn-NC. The subsequent batch adsorption results demonstrated that the as-fabricated composites showed high I₂ adsorption amounts (1204.9 mg/g) and relatively fast dynamics in an iodine-cyclohexane solution when the Cu content was 30% and the pyrolysis temperature was 600 °C, outperforming the other Cu-based materials. The isothermal adsorption followed both Langmuir and Dubinin-Radushkevich isotherm models, while the kinetics of I₂ adsorption followed a pseudo-second-order kinetic model. The activation energy (E_α) of the adsorbent was determined to be 47.2 kJ/mol, according to the Arrhenius equation. According to the experimental and DFT analyses, I₂-Zn interactions and I₂-Cu⁰ chemisorption jointly promoted the elimination of iodine. In general, this study provided an operative adsorbent for the highly effective capture of iodine in solution, which might be worth applying on a large scale.