Detecting As3+ in urban and industrial wastewater is of paramount importance for maintaining public health. Density functional theory can be utilized to investigate the potential applications of BC2N nanosheets in sensing and removing As3+ ions. The findings of the current study confirm that the adsorption of As3+ ions onto the BC2N nanosheet significantly reduces the band gap, thereby rendering the nanosheet an exceptional sensing platform for As3+ ions. The BC2N nanosheet exhibits the potential to function as both an electronic and φ-type sensor for the detection of toxic As3+ ions. Moreover, this study examines the impact of As3+ ion adsorption on the electronic transport characteristics of the BC2N nanosheet through current-voltage and transmission analyses, utilizing a bias voltage ranging from 0 to 2 V. The results of this study provide theoretical evidence supporting the use of pristine BC2N nanosheets as a viable substrate for efficient sensing and removal of toxic As3+ ions in practical water treatment applications.
