Mechanism for creating a composite based on polypropylene modified with carbon nanotubes of various layer degree

Conductive polymers represent an interesting and promising class of materials with unique properties. They have good electrical conductivity, which makes them suitable for various applications in electronics. Conductive polymers are used in the production of organic light-emitting diodes, solar cells, transistors and sensors. Due to their sensitivity to environmental changes, conductive polymers can be used in various sensors, including gas and biosensors. Conductive polymers can be used to create antistatic coatings, which is especially important in electronics and manufacturing, in batteries, supercapacitors and other electrochemical systems. Due to their lightness and flexibility, conductive polymers open up new possibilities for the development of flexible and wearable electronics. Currently, research is quite widespread on the creation of new polymer materials, which are obtained by modifying known polymers with various fillers, including nanomaterials. One of the well-known nanomaterials is carbon nanotubes. The existing applications of nanotubes are almost limitless. In this paper, the well-known polymer polypropylene and carbon nanotubes are chosen as the main objects of study. The inclusion of conductive fillers in polypropylene will allow them to be used for many advanced electronics applications. The work investigates the processes of interaction of single- and double-layered carbon nanotubes with a polypropylene monomer, as well as with its fragment. The structural features, the electron-energy structure of a polypropylene-based nanocomposite doped with carbon nanotubes, as well as the study of the mechanisms of interaction between CNTs and polypropylene fragments are investigated using the theory of density functional. The electron-energy structure of complexes formed by single- and double-layered carbon nanotubes and a fragment of polypropylene is analyzed. It has been established that the resulting composite material based on polypropylene will have conductive properties.