# Polymer Nanocomposite Based on Pyrolyzed Polyacrylonitrile Doped with Carbon Nanotubes: Synthesis, Properties, and Mechanism of Formation

## TL;DR

This paper explores creating a polymer nanocomposite by adding carbon nanotubes to pyrolyzed polyacrylonitrile, enhancing its mechanical and electrical properties.

## Contribution

The study introduces a novel method for reinforcing PPAN with CNTs and explains the interaction mechanism using DFT.

## Key findings

- CNT attachment to PPAN increases tensile strength, electrical conductivity, and thermal stability.
- The nanocomposite exhibits improved dielectric properties under electromagnetic radiation.
- Quantum chemical analysis reveals structural and electronic features of the PPAN/CNT system.

## Abstract

The paper investigates the possibility of fabricating a carbon nanotubes (CNT)-modified nanocomposite based on pyrolyzed polyacrylonitrile (PPAN). The layered structure of PPAN ensures the attachment of nanotubes (NT) to the polymer matrix, forming enhanced PPAN/CNT nanocomposites. We synthesized a PPAN/CNT polymer nanocomposite and investigated its mechanical, conductive, and electronic properties. Using the quantum chemical method density functional theory (DFT), we studied an interaction mechanism between PPAN and single-walled carbon nanotubes. We described the structural features and electron energy structure of the obtained systems. We found that the attachment of a CNT to the PPAN matrix increases tensile strength, electrical conductivity, and thermal stability in the complex. The obtained materials were exposed to electromagnetic radiation and the dielectric constant, reflection, transmission, and absorption coefficients were measured. The study demonstrates the possibility of using carbon nanotubes for reinforcing polyacrylonitrile polymer matrix, which can result in the development of an enhanced class of materials possessing the properties of both polymers and CNTs.