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Interaction between a silicon nanowires surface and molecules of NH3 and HCl: DFT model and experiment
Svinkin N. A.
1, Kondratev V. M.1,2, Polozkov R. G.1,3, Bolshakov A. D.1,2,4
1Alferov Federal State Budgetary Institution of Higher Education and Science Saint Petersburg National Research Academic University of the Russian Academy of Sciences, St. Petersburg, Russia
2Moscow Institute of Physics and Technology (State University), Moscow, Russia
3Peter the Great Saint-Petersburg Polytechnic University, St. Petersburg, Russia
4St. Petersburg State University, St. Petersburg, Russia
2Moscow Institute of Physics and Technology (State University), Moscow, Russia
3Peter the Great Saint-Petersburg Polytechnic University, St. Petersburg, Russia
4St. Petersburg State University, St. Petersburg, Russia
Email: nik-svinkin@mail.ru
Theoretical and experimental studies of the interaction processes of the surface of silicon nanowires with NH3 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 NH3 and HCl vapors experimentally established. Keywords: Silicon nanowires, gas sensing, ammonia, hydrochloric acid, DFT.
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