화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.639, No.1, 39-46, 2016
Spectral and barrier properties of heterocomposites based on poly (para-phenylene) disposed between the silicon films
Within the framework of the methods of the electron density functional and the ab initio pseudopotential, we have obtained the spatial distributions of the valence electrons density, the electron energy spectra and the Coulomb potential for heterocomposites based on poly (para-phenylene) and carbon nanotube disposed between the silicon films.It was revealed that the maximal value of the potential barrier was noticed in a composite material from polyparaphenylene filaments placed between silicon films and completed with carbon nanotubes perpendicularly to the surface of the silicon films and along them.