Metal-carbon nanocomposites based on pyrolysed polyacrylonitrile

The electronic structure and geometry of metal−carbon nanocomposites based on pyrolyzed polyacrylonitrile (PPAN) with Cu, Si, Fe, Co and Ni atoms using the DFT method have been theoretically studied. The effect of nitrogen on the stability of PPAN and its conductivity has been determined. The electrophysical properties and structure of metal nanocomposites have been studied using the XFA method. The composites have been produced by IR heating. We suggest that metal−carbon nanocomposites form due to the special processing of the (PAN−MeR) samples. Metal nanoparticles are regularly dispersed in the nanocrystalline matrix of PPAN. The conductivity of these metal−carbon nanocomposites has an activation character and varies from 10−1 to 103 Om/cm depending on synthesis temperature (T=600-900 °С). The results of theoretical and experimental research are in a good agreement.