Adsorption studies of trimethyl amine and n-butyl amine vapors on stanene nanotube molecular device - A first-principles study

The stanene nanotube is designed and used for the detection of trimethyl amine (TMA) and n-butyl amine (n-BA) vapors, which is investigated using first-principles study. The electronic properties of bare stanene nanotube and the adsorption properties of TMA and n-BA molecules are studied using density functional theory with non-equilibrium Green's function. Moreover, the device density of states shows the shift in the peak maxima upon adsorption of TMA and n-BA molecules on to the stanene nanotube. The variation in the flow of electron is noticed upon adsorption of TMA and n-BA molecules in the transmission spectrum of stanene nanotube. I-V characteristics clearly confirm the variation in the current upon adsorption of TMA and n-BA molecules. The findings of the study clearly suggest that the stanene nanotube molecular device can be used for the detection of trace levels of TMA and n-BA molecules present in the atmosphere. (C) 2017 Elsevier B.V. All rights reserved.