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The use of semiconductor nanomaterials is currently considered to be one of the most promising device optimization methods since those materials allow controlling the electronic properties and possess high mechanical and thermal strength, providing for long device service life without the necessity of replacement or seeking new solutions. The parameters of the electronic and energy structure of new semiconductor nanomaterials based on carbon nanotubes containing substitution atoms have been studied. The test carbon nanotubes contained specific substitution atom concentrations (15, 25 and 50%). A relationship has been drawn between the band gap, conductivity and optical properties of the materials. Data on the band gap and conductivity as functions of substituting nitrogen atom concentration and tube diameter have been reported. The experimental band gap data suggest that the nanotubes in question are narrow-gap semiconductors. One can also conclude that a new semiconductor material has been synthesized on the basis of carbon nanotubes with substitution nitrogen atoms since the test tubes exhibit a redistribution of electron density towards the nitrogen atoms and positive charge localization in the vicinity of the carbon atoms. The results are of utmost importance for the design and fabrication of components and units for nanoelectronics and microsystems: our theoretical study has confirmed the possibility to control the refraction index and conductivity of media by implementing a carbon-for-nitrogen substitution reaction to various concentrations. Thus, a new electronics material has been studied, i.e., carbon nanotubes modified by substitution of nitrogen atoms.

Various types of metal-organic frameworks (MOF) and their structural parameters have been reviewed and their classification has been presented. Most widely used synthesis methods and approaches for MOF and composites on their basis have been discussed. MOF structure is a regular 3D lattice formed by organic linkers and metallic clusters. It has been shown for an example of literary data on MOF synthesis and structural studies that the types of bonds and metals can strongly affect the spatial structure and dimensions of MOF crystals: they can have nano-, micro- and meso-dimensions, be dense or porous, bulk or layered. This variety of structural parameters determines the wide range of their properties and potential applications. Prospects and methods of controlling the shapes of the crystals, their size and spatial bonds between organic components and metal ions have been reviewed. Major attention has been paid to zeolite-like frameworks (ZIF) as the most promising ones from the viewpoint of structure, synthesis and electrochemical current source applications. Discussion has touched on possible modifications and methods of controlling the properties of those MOFs and composites on their basis and introduction of impurities, including those having magnetic properties. Possible synthesis options of complex composites through controlled MOF pyrolysis have been presented, for either small-batch or scalable processes. The effect of heat treatment conditions on the final properties and electrochemical applications of those materials has been demonstrated. ZIF-67 structured MOF doping with one more metal has been presented as variant of modifying the properties of MOF and composites on their basis. For example, the Authors have implemented cobalt MOF synthesis wherein cobalt is partially substituted for manganese at the synthesis stage. Furthermore, a simple water solution co-deposition synthesis technique has been modified with ultrasonication thus reducing the time consumption of the process. Electrochemical studies have shown that the unit electrochemical capacity of pyrolyzed MOF electrodes with partial cobalt substitution for manganese is appreciably higher as compared to the manganese-free materials. The unit capacity and energy density increase with manganese content in the MOF. MOF manganese doping delivers a considerable improvement in the electrochemical parameters of the electrode materials for hybrid supercapacitors on their basis (from 100 to 298 F/g at 0.25 A/g current density). The results suggest that cobalt substitution for manganese is an effective method of improving the electrochemical parameters of MOFs. It has been demonstrated that the development of new approaches to the design of MOF based composite materials and the study of the physicochemical regularities of their interaction with various carriers is an important task.

Physicochemical fundamentals have been developed for the basic design solutions and fabrication technologies of prospective electrolytic power cells with a reusable cell capacity of 350–500 W·h/kg at the first stage and 1000 W·h/kg at the second stage. Along with conventional chemical current sources and ionistors, there are emerging high-performance supercapacitor structures with thin dielectric in the double electric layer and hybrid capacitors in which energy is accumulated in the double electric layer and due to electrochemical processes. This approach reduces the internal resistance of the electrolytic cells thus decreasing the heat emission during operation and therefore providing for a higher specific energy capacity and operation safety, shorter charging time and an increase in specific power. Prospective anode is a nanostructured electrode material in the form of a carbon matrix filled with a nanostructured chemically active material. Promising carbon matrix fillers are Li and its alloys, Si, Al, Na, Sn, Mg, Zn, Ni, Co, Ag, as well as a range of other materials and their compounds. The effect of carbon material specific surface area, dielectric permeability and chemically active material addition on the specific energy capacity has been studied. Theoretical specific energy capacity of metal/air hybrid capacitors has been calculated. Thin-film technological system has been designed for new generation electrode materials in the form of carbon matrices with highly developed surface containing thin tunneling dielectrics and chemically active materials on dielectric surface.

FeCoCu ternary nanoparticles distributed and stabilized in the carbon matrix of FeCoCu/C metal-carbon nanocomposites have been synthesized using controlled IR pyrolysis of precursors consisting of the “polymer / iron acetylacetate / cobalt and copper acetates” type system obtained by joint dissolution of components followed by solvent removal. The effect of the synthesis temperature on the structure, composition and electromagnetic properties of the nanocomposites has been studied. By XRD was shown that the formation of the FeCoCu ternary nanoparticles occurs due to the interaction of Fe3С with the nanoparticles of the CoCu solid solution. An increase in the synthesis temperature leads to an increase in the size of the metal nanoparticles due to their agglomeration and coalescence as a result of matrix reconstruction. Furthermore, ternary alloy nanoparticles having a variable composition may form depending on the synthesis temperature and the content ratio of the metals. Raman spectroscopy has shown that the crystallinity of the carbon matrix of the nanocomposites increases with the synthesis temperature. The frequency responses of the relative permittivity and permeability of the nanocomposites have been studied at 3–13 GHz. It has been shown that a change in the content ratio of the metals noticeably increases both the dielectric and the magnetic losses. The former loss is caused by the formation of a complex nanostructure of the nanocomposite carbon matrix while the latter one originates from an increase in the size of the nanoparticles and a shift of the natural ferromagnetic resonance frequency to the low-frequency region. The reflection loss has been calculated using a standard method from the experimental data on the frequency responses of the relative permittivity and permeability. It has been shown that the frequency range and the absorption of electromagnetic waves (from –20 to –52 dB) can be controlled by varying the content ratio of the metals in the precursor. The nanocomposites obtained as a result of the experiment deliver better results in comparison with FeCo/C nanocomposites synthesized under similar conditions.

The aim of this work was to study the effect of vacuum sintering conditions and cerium concentration on the optical, luminescent and thermal properties of yttrium-aluminum garnet based ceramics doped with Се3+ cations. Series of ceramic powders were synthesized and samples of luminescent ceramics having the composition Y3-хСехAl5O12 were synthesized where x was in the range 0.01 to 0.025 f.u. We show that the phase composition and grain size distribution of the ceramic powders do not depend on cerium concentration. Without sintering additives, an increase in vacuum sintering temperature from 1675 to 1800 °C leads to an increase in the optical transmittance of luminescent ceramic specimens from 5 to 55% at a 540 nm wavelength and an increase in the thermal conductivity of the samples from 8.4 to 9.5 W/(m ∙ K). It was found that an increase in cerium concentration leads to a shift of the luminescent band peak from 535 to 545 nm where as the width of the luminescent band decreases with an increase in vacuum sintering temperature from 1675 to 1725 °C.

Magnetic nanoparticles play an important role in rapidly developing advanced branches of science and industry, e.g. fabrication of magnetic storage media, synthesis of ferromagnetic liquids, medicine and chemistry. One problem faced in the usage of magnetic nanoparticles is their high chemical activity leading to oxidation in air and agglomeration. The chemical activity of magnetic nanoparticles stems from the contribution of their large specific surface to volume ratio. Carbon coating of nanoparticles reduces the interaction between nanoparticles. FeCoAl/C metal-carbon nanocomposites have been synthesized using IR pyrolysis of polymer/metal salt precursors. The effect of synthesis temperature (IR heating) in the range from 500 to 700 °C on the structure and composition of the nanomaterials has been studied. We show that the forming particles are the FeCoAl ternary solid solution with a FeCo based bcc lattice. An increase in the synthesis temperature from 500 to 700 °C leads to an increase in the coherent scattering region of three-component nanoparticles from 5 to 19 nm. An increase in the aluminum content from 20 to 30% relative to Fe and Co results in an increase in the size of the nanoparticles to 15 nm but this also entails the formation of a Co based solid solution having an fcc lattice. An increase in the nanocomposite synthesis temperature and a growth of the relative Al content as a result of a more complete carbonization and the structure-building effect of metals reduce the degree of amorphousness of the nanocomposite carbon matrix and lead to the formation of graphite-like phase crystallites having an ordered structure. The effect of synthesis temperature and relative content of metals on the electromagnetic properties (complex permittivity and permeability) of the synthesized nanocomposites has been studied. Synthesis conditions affect the radio absorption properties of the nanocomposites, e.g. reflection loss (RL) in the 3–13 GHz range.

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.

The work deals with obtaining nickel metal-carbon nanocomposites based on IR-pyrolyzed polyacrylonitrile and nickel chloride hexahydrate and a study of the structural characteristics of the synthesized material. Nanocomposites have been prepared under IR-based precursor pyrolysis of polyacrylonitrile (PAN) and nickel chloride hexahydrate (NiCl2·6H2O). Pyrolysis has been carried out in the 150–700 °C temperature range. The grown nanocomposites are a two-phase system of the carbon matrix formed during carbonization of PAN and distributed in the nickel nanoparticles (nickel oxide). The average size of the nanoparticles in the nanocomposite was 15–25 nm. The effect of IR precursor pyrolysis temperature on the size of the nickel nanoparticles has been studied. We have determined that the size distribution of nickel nanoparticles is determined by the temperature of nanocomposite synthesis. While the temperature increases the prevailing average particle size of the metal increases and the distribution is blurred and shifts towards larger sizes. By calculating the total Gibbs energy of possible reduction reactions of nickel chloride and oxide pyrolysis PAN products we have shown the possibility of the formation of nanocomposites comprising nickel oxide nanoparticles which can be reduced to zero-valence state at higher temperature IR heating (more than 5000 °C).

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 electrophysical properties and structure of metal nanocomposites have been studied using the XFA method. The composites have been produced by IR heating. We suggest that metal−carbon nanocomposites form due to the special processing of the (PAN−MeR) samples. Metal nanoparticles are regularly dispersed in the nanocrystalline matrix of PPAN. The conductivity of these metal−carbon nanocomposites has an activation character and varies from 10−1 to 103 Om/cm depending on synthesis temperature (T=600–900 °С). The results of theoretical and experimental research are in a good agreement.