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

Автори	I.V. Zaporotskova¹ , N.A. Anikeev¹, L.V. Kozitov²
Приналежність	¹ Volgograd State University, 100, Universitetskiy prosp., 400062 Volgograd, Russia ² Moscow Institute of Steel and Alloys, 5, Leninskiy prosp., 119049 Moscow, Russia
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Випуск	Том 8, Рік 2016, Номер 3
Дати	Одержано 14.05.2016, опубліковано online - 03.10.2016
Посилання	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
Ключові слова	IR – pyrolyzed acrylonitrile nanopolymer, Atom of iron and copper, Bandgap (5) .
Анотація	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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