Antimonene nanosheet device for detection of explosive vapors - A first-principles inspection

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.