Adsorption properties of two-dimensional carbon material towards the heavy metal ions

The presence of toxic heavy metal ions in the environment generating from industrial activities is one of the most drastic environmental threats that humanity is facing today. Herein, we theoretically study the removal of toxic heavy metals using the two-dimensional carbon materials such as pristine as well as Stone-Wales defect filled carbon cones. Our results show that carbon cones are promising materials to remove the Cd²⁺, Hg²⁺, and Pb²⁺cations in the solutions. Time-dependent density functional analysis also revealed “ligand to metal” excitations for the considered cation/carbon cone systems. The results of this study reveal that two-dimensional carbon cone is an important nanomaterial with possible unexpected properties. Therefore, many experimental and theoretical investigations are necessary to determine these properties.