The recent advances in the molecular device fabrication have outstretched the exciting applications in vapor sensing devices. This report investigates the explosive vapor detection using the antimonene molecular device (AMD) implemented with the first-principles study. The adsorption of four different explosive vapors namely hexanitrostilbene, M-dinitrobenzene, picric acid, and 2,4,6-trinitrotoluene on AMD device is examined. The adsorption configurations, charge transfer, band gap variation of antimonene nanosheet upon adsorption of explosive vapors on AMD are studied. The adsorption of vapors on AMD device is supported with the transmission spectrum and current-voltage features. Further, the results suggest that next-generation nanosensor is conceivable using antimonene nanosheets.

分子器件制造领域的最新进展已经超出了蒸汽感测器件中令人兴奋的应用范围。这份报告调查了在第一原理研究中使用锑分子装置（AMD）进行爆炸性蒸气检测的情况。检查了四种不同爆炸性蒸气，即六硝基namely，M-二硝基苯，苦味酸和2,4,6-三硝基甲苯在AMD装置上的吸附。研究了爆炸性蒸气在AMD上的吸附，锑烯纳米片的吸附构型，电荷转移，带隙变化。透射光谱和电流-电压特性支持AMD设备上的蒸气吸附。此外，结果表明使用锑烯纳米片可以想到下一代纳米传感器。