Aluminium carbide nano-sheet as a promising adsorbent for removal of carbendazim

Abstract

• Adsorbent efficacy of aluminium carbide nano-sheet (AlC 3 NS) for CB was evaluated for the first time. • CB interacted with the Al atoms of AlC 3 NS via -C=O group and the adsorption energy was approximately −30.14 kcal/mol. • The HOMO-LUMO analysis was conducted for investigating the charge transfer process. The widespread use of carbendazim (CB) as a pesticide molecule to control pests and to protect crops has worsened the problems associated with pollution. The excessive use of CB can cause atmospheric pollution through the contamination of soil as well as water sources. Within the current work, the adsorbent efficacy of aluminium carbide nano-sheet (AlC 3 NS) for CB was evaluated for the first time. We evaluated some of the important properties of CB, AlC 3 NS, and complex of CB-AlC 3 NS for investigating the effectiveness of AlC 3 NS as an adsorbent system. CB interacted with the Al atoms of AlC 3 NS via -C=O group and the adsorption energy was approximately −30.14 kcal/mol. The HOMO-LUMO analysis was conducted for investigating the charge transfer process, which was further supported by NBO analysis. The results demonstrated the possibility of using the AlC 3 NS as an efficient adsorbent system for the CB for the treatment of different kinds of wastewater.