The Mechanism of Introduction of Iron and Copper Atoms into the Interlayer Space of Ir-Pyrolyzed Acrylonitrile Nanopolymer

Автор(ы) I.V. Zaporotskova1 , N.A. Anikeev1, L.V. Kozitov2

1 Volgograd State University, 100, Universitetskiy prosp., 400062 Volgograd, Russia

2 Moscow Institute of Steel and Alloys, 5, Leninskiy prosp., 119049 Moscow, Russia

Выпуск Том 8, Год 2016, Номер 3
Даты Получено 14.05.2016, опубликовано online – 03.10.2016
Ссылка I.V. Zaporotskova, N.A. Anikeev, L.V. Kozitov, J. Nano- Electron. Phys. 8 No 3, 03021 (2016)
DOI 10.21272/jnep.8(3).03021
PACS Number(s) 31.15. – p
Ключевые слова IR – pyrolyzed acrylonitrile nanopolymer, Atom of iron and copper, Bandgap (4) .
Аннотация In this paper, we consider the process of introduction of iron and copper atoms in the interlayer space of the two-layer IR - pyrolyzed acrylonitrile polymer (PPAN). Is considered a so-called two-layered semi-infinite cluster PPAN, i.e., on the one hand cluster is limited and the other is infinite, the dangling bonds are closed by pseudo atoms of hydrogen. The process of introducing metal atoms occurs through the open end of a two-layer PPAN and modeled step by step approach (step 0,1 Å) to the fictitious atom, which is located in the center of the cluster between the layers.

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