On the mechanism of pore formation in pyrolized polyacrylonitrile

Abstract

Abstract The paper presents a study of the possibilities and mechanisms of pore formation (based on vacancy defects) in single-layer and two-layer pyrolyzed polyacrylonitrile. The geometrical and electronic-energy characteristics are described, the effect of the number of PPAN layers on the processes under consideration is studied. Theoretical calculations were performed using the molecular cluster model and the quantum chemical method MNDO.