Tunable adsorption behavior of small molecule on GeP monolayer by applied strain and electric field

The sensing properties of GeP monolayer to small gas molecule (CO, CO2, O2, H2O, NH3, NO and NO2) have been investigated by performing first-principle calculations. Based on calculated adsorption distance, adsorption energy and charge transfer, we find that GeP monolayer is the most sensitive to NO2 and NO molecules, and all gas molecules act as acceptors to gain electrons from GeP monolayer. The adsorption energy of NO2 is smaller than that of...