The Magnetic Properties of Nanocomposites Fe-Co/C Based on Polyacrylonitrile

Булатов, М. Ф.; Kozitov, L. V.; Муратов, Д. Г.; Карпачева, Г. П.; Попкова, А. В.

doi:10.1166/jno.2014.1682

Cited by 5 publications

(2 citation statements)

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“…Introduction of metal nanoparticles into the matrix enables to obtain materials with improved physical and chemical properties. For example, the inclusion of ferromagnetic metals in polymer matrices allows the use of such metal composites in various fields of technology: magnetic recording systems [1], high-frequency devices [2,3], magnetic resonance tomography [4], biomedical [5], radiation protection systems [6], electronics and others. Theoretical investigation of metal composites is an important problem, the solution of which will allow controlling the process of their production in order to obtain the specified structure and necessary characteristics.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Metal Composite on the Monolayer PPAN Basis, Containing Pair Metal Atoms Cu-Co and Cu-Ni

Запороцкова¹,

Radchenko²,

Boroznin³

et al. 2020

Proceedings of the 5th World Congress on Recent Advances in Nanotechnology

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In this work PPAN monolayer containing pair of atoms of metals Cu-Co, Cu-Ni is considered. The structure of the metal complex system was investigated. Single-electron spectra were constructed; the width of the energy gap was analyzed and compared with the similar characteristic of PPAN, which does not contain metal atoms. Binding energy is calculated and metal charges are carried out. Influence of copper atom on basic characteristics of metal complex is determined. The studies were performed using the DFT method with B3LYP functionality and cc-pvdz basis.

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Section: Introductionmentioning

confidence: 99%

Theoretical Study of Metal Composite on the Monolayer PPAN Basis, Containing Pair Metal Atoms Cu-Co and Cu-Ni

Запороцкова¹,

Radchenko²,

Boroznin³

et al. 2020

Proceedings of the 5th World Congress on Recent Advances in Nanotechnology

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“…Introduction of metallic nanoparticles into the matrix produces materials having improved physicochemical properties. Introduction of ferromagnetic metals into nanocomposites opens the possibility of their application in various engineering fields: magnetic data recording systems [1], high frequency devices [2,3], biomedicine [4], radiation protection systems [5], electronics etc.. Theoretical study of metal composites is an important task solving which we will be able to control their structure and parameters [6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of metal composite based on pyrolyzed polyacrylonitrile monolayer containing Fe-Co, Ni-Co and Fe-Ni metal atom pairs and silicon amorphizing admixture

Запороцкова¹,

Radchenko²,

Кожитов³

et al. 2020

MoEM

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An urgent problem of radio engineering and radioelectronics nowadays is the synthesis of composite materials with preset parameters that can be used as electronics engineering materials. Of special interest are MW range wide-band electromagnetic radiation absorbers. Special attention is paid to materials on the basis of ferromagnetic metals that are capable of effectively absorbing and reflecting incident waves and having a clear nanostructure. Development of nanocapsulated metals will allow controlling the parameters of newly designed materials. This is achieved with the use of polymer matrices, e.g. pyrolyzed polyacrylonitrile (PPAN). This work is a theoretical study of a PPAN monolayer model containing pairs of transition metal atoms iron, nickel and cobalt which possess ferromagnetic properties, in Fe-Co, Ni-Co and Fe-Ni combinations, with silicon amorphizing admixture. We studied the geometrical structure of the metal composite systems which are modeled as PPAN molecular clusters the centers of which are voided of six matrix material atoms, the resultant defects (the so-called pores) being filled with pairs of the metal atoms being studied. The metal containing monolayer proved to be distorted in comparison with the initially planar PPAN monolayer. We plotted single-electron spectra of the composite nanosystems and characterized their band gaps. The presence of metal atoms reduces the band gap of a metal composite as compared with pure PPAN. We determined the charges of the metals and found electron density transfer from metal atoms to their adjacent PPAN monolayer atoms. We calculated the average bond energy of the test metal composite systems and proved them to be stable. The studies involved the use of the density functional theory (DFT) method with the B3LYP functional and the 6-31G(d) basis.

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