Ab-initio Modeling of Functionalized 2D-Stanene nanostructure in context of FET based Toxic Gas Sensor

Abstract Detecting toxic gases in the environment cannot be minimized today’s highly polluted world and reality of global warming. Carbon monoxide is a air pollutant can cause serious health problems. Sensing materials plays critical role performance gas sensors. Nanostructure exhibit better as sensing channels application for developing novel FET-based devices. In proposed work, ab-initio study performed to explore 2D-Stanene nano sheet substrate field-effect transistors sensor. We explored CO gas-adsorption behaviour on pristine, hole-defective, Pt-doped Stanene analyzed structural, charge-density, electronic transport properties by first principles calculations exploit its potential high-performance sensing. Here in, get measure after adsorption molecule, molecular model all cases are modelled considering possible anchoring sites optimized, then were based density functional theory (DFT).