Simulation of the Xenes nanoribbons for sensing CO, CO2, and CH4 gases

Abstract Xenes emerge as promising materials for sensing applications. The capabilities of armchair Graphene, Silicene, and Phosphorene nanoribbons (AGNR, ASiNR, and APNR) as gas sensors have been investigated using tight-binding approximation and non-equilibrium Green’s function approach. These Xenes have been used for sensing CO, CO 2 , and CH 4 at different concentrations. The results revealed that the AGNR has an excellent sensitivity and selectivity to CO and CO 2 gases than other sensors. Although ASiNR has considerable sensitivity to CO and CH 4 gas molecules at all concentrations, it can select CO from others. The APNR just can detect CO 2 gas molecules and shows poor selectivity, furthermore, it has shorter recovery time than AGNR and ASiNR, due to gas-Xene bond type.