Fabrication of nitrogen-doped carbon dots biomass composite hydrogel for adsorption of Cu (II) in wastewater or soil and DFT simulation for adsorption mechanism

With the increase of Cu (II) content, its bioaccumulation becomes a potential pollution to the environment. It is necessary to design an economical and efficient material to remove Cu (II) without causing other environmental hazards. A novel material of alginate composite bead (ALG@NCDs) was synthesized by embedding N-doped carbon dots into pure alginate bead for the adsorption of Cu (II) from wastewater and contaminated soil. The initial concentration, the amount of adsorbent, temperature, adsorption time, and pH value were optimized for the adsorption of Cu (II). According to the Langmuir isothermal adsorption model, the maximum adsorption amount of the material to Cu (II) was 152.44 mg/g. The results of selective adsorption showed that ALG@NCDs had higher affinity to Cu (II) than to Pb (II), Co (II), Ni (II), and Zn (II). After five adsorption-desorption experiment, adsorption capacity of the ALG@NCDs was kept 89% of the initial adsorption capacity. Its Cu (II) adsorption mechanism was studied by density functional theory calculations. In addition, the material could effectively adsorb Cu (II) and release the phytonutrient Ca (II) simultaneously when applied to actual wastewater and soil. The fabricated ALG@NCDs would be a promising material for the adsorption of Cu (II) from wastewater or soil.