Studies of the interaction of modified nitro group boronitride nanotubes with gas-phase carbon-containing molecules to create sensor devices

Abstract

Recently, the environmental situation in the world has been deteriorating everywhere and there is a need to find new effective means of detecting harmful substances in the air. Every year, the content of carbon dioxide in the air is growing, which in the end can lead to a deterioration in the health of people. Various types of sensor devices are currently used to timely fix the increase in the gas level. As the active material of such a sensor, modern unique materials can be used – nanotubes, which, due to their sorption properties, are able to detect the presence of harmful impurities in the air space of the premises. It is also possible to use such sensors as detectors of some human diseases by analyzing exhaled air, which makes their use in medicine possible. The results of a theoretical study of the sorption interaction of modified boronitride nanotubes with molecules of carbon dioxide and acetone, obtained using the quantum-chemical DFT method, are presented, which prove the possibility of using this type of nanotubes as a sensor material for sensor devices.