Abstract
Using density functional theory (DFT) computations, the application of a BC3 nanotube was scrutinized to detect gamma-hydroxybutyric acid (GHB). After the adsorption of GHB the HOMO-LUMO gap reduces from 2.358 to 2.199 eV. The electrical conductance of GHB/BC3 nanotube complex is 486 times higher compared to that of the bare nanotube. Hence, the BC3 nanotube can yield an electronic sign after the adsorption of GHB, showing that it is a viable electronic sensor. The sensing response for the BC3 nanotube is 485, representing a high sensitivity. The sensing response is increased to 639, 746, and 906 for 2, 3, and 4 GHB adsorbed nanotube, respectively, indicating that the sensor response depends on the GHB concentration. The interaction between GHB and the BC3 nanotube in the ethanol solvent is strengthened.
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