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This article discusses the possibility of the fabrication of a highly sensitive sensor based on single-walled boron-carbon BC5 nanotubes surface modified with functional carboxyl groups (-COOH). The sensor potential for detection of alkali (lithium, potassium, and sodium) metals were investigated. The results of computer simulation of the interaction process between the sensor and an arbitrary surface of the modified tube containing atoms of the studied metals are presented. The carboxylated BC5 nanotube and a similarly modified BC3 nanotube was compared. The effect of boron atoms on sensory properties of the obtained system is concluded. The calculations were carried out within the framework of the density functional theory (DFT) method using the molecular cluster model. It has been proved that surface-modified boron-carbon nanotubes by carboxyl group show high sensitivity for the metal atoms under study and can be used as the sensor device.

This paper presents the theoretical study results of the possibility of acetone, common volatile organic compound (VOCs) in human respiration, with titanium dioxide nanotubes. The efficiency of interaction of the acetone molecule with the TiO2 nanotube is analyzed. Recommendations for the creation of highly sensitive sensor devices using titanium dioxide nanotubes for diagnostics of various diseases have been developed.

This article provides a theoretical study of the possibility of reacting acetone, a common volatile organic compound (VOC) in human respiration, with carbon nanotubes modified with functional groups - carboxyl and amine. Analysis of efficiency of processes of sorption interaction of acetone molecule with modified nanosystem for development of recommendations for creation of perspective highly sensitive sensory devices using modified carbon nanotubes for detection of VOCs contained in human exhalation and diagnostics of various diseases.

The issues of using carbon nanotubes as fillers to strengthen polymer ropes used in the mining industry, oil and gas production, metallurgy, power engineering, etc. are considered in the work. The method for producing a nanocomposite based on polypropylene doped with carbon nanotubes has been developed. Experimental studies of the most significant strength characteristics of the created prototypes of polymer composite materials have been carried out. To determine the mechanisms acting upon the introduction of nanotubes into the polymer matrix, DFT calculations of the interaction of propylene monomer with the surface of single-walled nanotubes of different diameters and chirality have been performed.