Carbon Monoxide Gas Sensor Based on ZrSe2 Monolayer Nanosheet

Recently, the semiconducting electronic properties of different compounds of two-dimensional (2D) materials have been explored. One of the most important members of this family (ZrSe2; Zirconium diselenide) is used to substitute the silicon in Nano electronics because of its considerable bandgap. Moreover, this material seems to have potential application in sensing some toxic gases. In this research, we have investigated the adsorption ability of ZrSe2 nanosheet structure when the CO and CO2 gas molecules are applied to the nanosheet surface. The simulation results show appropriate and considerable sensing property of this structure in presence of CO gas molecule with stable configuration and prominent changes in amount of current after gas adsorption. The CO gas molecule shows a stable and considerable adsorption on the ZrSe2 structure which indicates that the ZrSe2 nanosheet structure is a proper case for gas sensing applications. I-V calculations illustrate a selective sensitivity to this especial gas molecule.