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 electr...

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Bibliographic Details
Main Authors: Irina A. Zaporotskova, Lev V. Kozhitov, Nikita A. Anikeev, Olesya A. Davletova, Alena V. Popkova, Dmitrii G. Muratov, Egor V. Yakushko
Format: Article
Language:English
Published: Pensoft Publishers 2015-06-01
Series:Modern Electronic Materials
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2452177915000092