A theoretical approach on the removal of elemental Cu and Cu (I) ions applying the g-C3N4S, g-C3N4O, g-C3N4N, and g-C3N4 nanosheets

In this project, the possibility of removal of copper (elemental Cu (0) and Cu (I) ion) from the environment by applying some heteroatom decorated graphitic carbonitride (g-C3N4) nanosheets has been investigated. Due to the recent reports about the toxicity of Cu overload and its intervention in a wide range of health problems such as Wilson's disease (Cu overload), elimination of this element from the environment is important (in view of medicinal chemistry and health science). Thus, this research has focused on the investigations that are related to the possibility of removal of Cu ions from the environment (applying the g-C3N4 nanosheet and its derivatives). The results have shown that the g-C3N4N is the strongest nanosheet for adsorption and removal of both Cu (0) atom, and Cu (I) ion. In addition, in view of sensing abilities, the results have indicated that the best sensor (having the ability of recognition of Cu (0) atom from Cu (I) ion, is C3N4O.