Arsenene Nanotube as a Chemical Sensor to Detect the Presence of Explosive Vapors: A First-Principles Insight

The explosive vapors like 2,4-dinitrotoluene, M-dinitrobenzene, 2,4,6-trinitrophenol, and 2,4,6-trinitrotoluene are detected with the aid of arsenene nanotube (As-NT). In order to identify the adsorption capability of explosive vapors on arsenene nanotube, its electronic properties are explored. The transmission of electrons between the As-NT and the explosive vapors are affirmed from the density of states spectrum and charge transfer. Moreover, the adsorption energy, energy band gap and Bader charge transfer of the isolated and explosive vapors adsorbed on As-NT validate the adsorption behavior. The findings suggest that the trace level of explosive vapors can be sensed using chemi-resistive based As-NT nanosensor. [GRAPHICS] .