Interaction between a silicon nanowires surface and molecules of NH$_3$ and HCl: DFT model and experiment

Theoretical and experimental studies of the interaction processes of the surface of silicon nanowires with NH$_3$ and HCl molecules have been carried out in connection with the possibility of creating gas sensors that have potential for use in healthcare. The DFT approach has been conducted to show that the experimental results can be explained by the redistribution of the electron density between adsorbed molecules and the silicon surface. It is possible due to the resistive response of Si nanowires to changes in the concentration of NH$_3$ and HCl vapors experimentally established.