Quantum-chemical studies of the production of a composite based on polymer-pyrolyzed polyacrylonitrile

In the work within the framework of the molecular cluster model using the quantum-chemical method MNDO, the possibility of obtaining a metal composite based on a widespread polymer - pyrolyzed polyacrylonitrile modified with potassium atoms - was considered. It was found that the concentration of nitrogen atoms in the structure of the polymer contributes to the potassium atom located in the polymer matrix.