Investigation of the Interaction of Carbon Dioxide with Modified Functional Groups of Nanotubes

Abstract

The article presents a theoretical study of the possibility of interaction of one of the most common substances in nature – carbon dioxide – with modified functional carboxyl and amine groups of carbon nanotubes and borocarbon nanotubes of the BC5 type. The article analyzes the results of the interaction and provides a comparative analysis of the efficiency of the sorption interaction of a nanosystem with a carbon dioxide molecule. The performed studies prove the implementation of a weak physical sorption interaction between a nanosystem consisting of a carbon nanotube, a boundary-modified amine group, and a carbon dioxide molecule. This allows us talking about a possible sensory interaction that will allow using such a complex to detect a micro amount of a substance-carbon dioxide. Based on this, it can be concluded that modified carbon nanotubes can be elements of sensors for determining the quality of indoor air, act as probes for cantilevers of atomic force microscopes and other devices. Recommendations are given for further use of the results as a basis for creating a highly sensitive new-generation sensor device for detecting micro-quantities of substances.