CO and NO monitoring using pristine germanene nanosheets: DFT study

Based on density functional theory and non-equilibrium Green's function method, the electronic properties along with CO and NO adsorption properties on germanene nanosheet is studied. The germanene nanosheet is used for designing germanene molecular device. The density of states spectrum shows the variation in the peak maxima due to transfer of electrons between CO and NO gas molecule with germanene nanosheet. The change in the peak amplitude is observed along the valence band and conduction band through the transmission spectrum in germanene molecular device. I-V characteristics clearly suggest the variation in the current upon adsorption of CO and NO molecules on germanene molecular device. The cross-selectivity of germanene device is also confirmed with interfering gases such as O-2 and humidity. The germanene device is sensitive and selective towards CO and NO gases among interfering gases. The findings confirm that germanene molecular device can be used to detect the presence of CO and NO gas in the mixed gas environment. (C) 2017 Elsevier B.V. All rights reserved.