Abuse of the cathinone (CA) drug has been related to several deaths worldwide. In this paper, the sensing characteristics of the pristine BC₃ nanosheet (BC₃N) as well as the Au@BC₃N are scrutinized towards CA using TPSS, B3LYP, M06-2X, PBEPBE, and B97D density functionals. It is found that the decoration of Au enhances the reactivity of BC₃N toward CA to a great extent, and raises the sensing response of BC₃N from 0.12 to 415.1. Correspondingly, a short recovery time of approximately 1.01 s is anticipated for the CA desorption from the surface of Au@BC₃N. The interaction between CA and the Au@BC₃N is slightly strengthened by the water solvent, whereas the sensing response decreases. We deduced that doping BC₃N by Au makes it an encouraging sensor for detecting CA.

卡西酮 (CA) 药物的滥用与世界范围内的多起死亡事件有关。在本文中，使用 TPSS、B3LYP、M06-2X、PBEPBE 和 B97D 密度泛函对原始 BC ₃纳米片（BC ₃ N）和 Au@BC ₃ N的传感特性进行了仔细研究。据发现，Au构成的装饰提高了BC的反应₃朝向CA N到很大程度，并提高的BC的感测响应₃ n在0.12至415.1。相应地，大约1.01秒的短的恢复时间预计为从Au构成的表面@ BC的CA解吸₃ N. CA和Au之间的相互作用@ BC ₃N 被水溶剂略微增强，而传感响应降低。我们推断通过 Au掺杂 BC ₃ N 使其成为检测 CA 的令人鼓舞的传感器。