Adsorption behavior of NH3 and NO2 molecules on stanene and stanane nanosheets - A density functional theory study

Using density functional theory method, we investigate the adsorption properties of NH3 and NO2 molecules on stanene and stanane nanosheets. The adsorption of molecules is explored based on the charge transfer, energetics, energy band gap and average energy gap variation. Moreover, the optimal adsorption sites of NH3 and NO2 molecules are identified on stanene and stanane nanosheets. Besides, the state-of-the-art provides the key features for the development of chemi-resistive nanosensor based on stanene and stanane nanosheets upon adsorption of NH3 and NO2 molecules. Furthermore, the study shows that adsorption of NO2 molecules is more prominent rather than NH3 molecules. (C) 2018 Elsevier B. V. All rights reserved.