Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor

A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH3, HCN, AsH3, and COCl2, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH3, HCN, AsH3, and COCl2) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints.