Introduction of the cobalt atom into the structure of pyrolyzed polyacrylonitrile

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The paper studies the introduction of cobalt atoms into the polymer matrix of pyrolyzed polyacrylonitrile. The most stable arrangement of embedded atoms in the polymer was established. The main calculations for the study of the structure and properties of PPAN with cobalt atoms were carried out using the DFT method.

Метод dft

Короткий адрес: https://sciup.org/170199630

IDR: 170199630   |   DOI: 10.24412/2500-1000-2023-6-4-104-107

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