Abstract:
Within the framework of the ab initio method, a study of the dissociative adsorption process of alcohols (methanol, ethanol, isopropanol, butanol) and ketones (2-octanone, acetone, cyclohexanone, cyclopentanone) on the surface of a thin SnO$_2$ film was conducted. It was established that the number of hydrogen atoms detached during dissociative adsorption does not significantly affect the binding energy. It was found that dissociative adsorption leads to the emergence of additional peaks in the density of states function in the valence band, which causes hybridization of electron clouds and an increase in resistance. It was demonstrated that the chemoresistive response during dissociative adsorption is, on average, higher for alcohols than for ketones.
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