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The interaction of graphene with fragments of polychlorotrifluoroethylene (PCTFE) has been studied by quantum chemistry methods. Within the frameworks of the density functional theory with B3LYP exchangecorrelation functional, 6-31G(d,p) basis set and the Grimme dispersion correction, and the second order MøllerPlesset perturbation theory (MP2), the values of the interaction energy of graphene with polychlorotrifluoroethylene oligomers were calculated and the most probable structures of their intermolecular complexes were optimized. As a graphene model, graphene-like planes (GLP) of different sizes were chosen, namely: С40Н16, С54Н18 and С96Н24. Oligomers of polychlorotrifluoroethylene and graphene-like planes in the formed nanocomposites are located closer to each other than individual polymer links. When comparing the results of calculations by the B3LYP-D3/6-31G(d,p) and MP2/6-31G(d,p) methods, both in the case of interactions of polychlorotrifluoroethylene oligomers with each other and intermolecular complexes of polychlorotrifluoroethylene oligomers and graphene-like planes, it has been found that the second order MøllerPlesset method is characterized by a larger intermolecular distance and a lower energy of intermolecular interactions compared to the method of the density functional theory with the Grimme dispersion correction, which is explained by the fact that the MP2 method does not fully take into account the relatively small components of dispersion interactions. Analysis of the calculation results using quantum chemistry methods shows that the addition of graphene-like planes to the polychlorotrifluoroethylene polymer leads to an increase in the intermolecular interaction energy, regardless of the calculation method used and the sizes of polychlorotrifluoroethylene oligomers and graphene-like planes. This may indicate greater strength and thermal stability of the nanocomposite based on graphene-like planes with polychlorotrifluoroethylene oligomers. The zero value of the Gibbs free energy ΔGreact for the interaction of two dimers with each other is characteristic at 270 K, and the similar value of the interaction of the PCTFE dimer with GLP is at a much higher temperature (420 K). This fact reflects the growth in thermostability of nanocomposites as compared to the polymer itself. [ABSTRACT FROM AUTHOR]

Nanocomposites containing components with semiconductor, ferroelectric, and ferromagnetic properties have attracted considerable attention of specialists due to the range of possible applications, including catalysis and electrocatalysis, electrode materials for solar and fuel cells, capacitors, electrical and biosensors, anti-corrosion coatings and much more. In recent years, both fundamental and applied interest in this direction of research is due to the possibility of creating a new type of controlled microwave devices and tools. The aim of the work is to develop methods for the synthesis of nanostructured NiCo composites based on BaTiO3 and TiO2, as well as to find the differences and regularities of their physicochemical properties. Two series of samples with different content of NiCo nanoparticles based on titanium oxide (TiO2) and barium titanate (BaTiO3) were obtained. NiCo particles were obtained by the method of chemical precipitation of nickel and cobalt carbonates in equal parts from a hydrazine hydrate solution at the temperature of 350 K. The results of X-ray phase analysis indicate the chemical purity of the obtained samples. The values of ε′, ε″ at a frequency of 9 GHz for the NiCo/BaTiO3 system are twice as high compared to NiCo/TiO2 for the corresponding values of the NiCo content, which is due to the higher values of ε′, ε″ of the initial barium titanate. Electrical conductivity of NiCo/BaTiO3 system changes by six orders of magnitude, which indicates the formation of a continuous percolation cluster of metal particles on the surface of dielectric BaTiO3 particles. The composites are heat-resistant up to 630K, as shown by the method of thermogravimetry and pronounced magnetic properties. The program for calculating frequency dependences of reflection and absorption coefficients in a complex form has been developed. EMF absorption for composites from the radiation frequency and the position of the minima of these characteristics, which agree satisfactorily with the experiment. The obtained composites can be promising components for obtaining composite systems and paints for protection against electromagnetic radiation. [ABSTRACT FROM AUTHOR]

Nanocomposites containing components with semiconductor, ferroelectric, and ferromagnetic properties have attracted considerable attention of specialists due to the range of possible applications, including catalysis and electrocatalysis, electrode materials for solar and fuel cells, capacitors, electrical and biosensors, anti-corrosion coatings and much more. In recent years, both fundamental and applied interest in this direction of research is due to the possibility of creating a new type of controlled microwave devices and tools. The aim of the work is to develop methods for the synthesis of nanostructured NiCo composites based on BaTiO3 and TiO2, as well as to find the differences and regularities of their physicochemical properties. Two series of samples with different content of NiCo nanoparticles based on titanium oxide (TiO2) and barium titanate (BaTiO3) were obtained. NiCo particles were obtained by the method of chemical precipitation of nickel and cobalt carbonates in equal parts from a hydrazine hydrate solution at the temperature of 350 K. The results of X-ray phase analysis indicate the chemical purity of the obtained samples. The values of ε′, ε″ at a frequency of 9 GHz for the NiCo/BaTiO3 system are twice as high compared to NiCo/TiO2 for the corresponding values of the NiCo content, which is due to the higher values of ε′, ε″ of the initial barium titanate. Electrical conductivity of NiCo/BaTiO3 system changes by six orders of magnitude, which indicates the formation of a continuous percolation cluster of metal particles on the surface of dielectric BaTiO3 particles. The composites are heat-resistant up to 630K, as shown by the method of thermogravimetry and pronounced magnetic properties. The program for calculating frequency dependences of reflection and absorption coefficients in a complex form has been developed. EMF absorption for composites from the radiation frequency and the position of the minima of these characteristics, which agree satisfactorily with the experiment. The obtained composites can be promising components for obtaining composite systems and paints for protection against electromagnetic radiation. [ABSTRACT FROM AUTHOR]

The creation of new nanomaterials for absorbtion of electromagnetic radiation microwave range is an important direction in consequence of electromagnetic pollution of the environment. The aim of the paper was to develop and synthesize the polymer-filled systems based on the polychlorotrifluoroethylene and tin dioxide modified by nickel ferrite in order to study their electrophysical properties as potential materials absorbing electromagnetic radiation. NiFe2O4/SnO2 nanocomposites with a volume content of nickel ferrite on the surface of tin dioxide from 0.62 to 0.8 were synthesized by co-precipitation. Size of SnO2 and NiFe2O4 nanoparticles was determined by a transmission electron microscope and its about 30–50 nm and 15–30 nm, respectively. For the NiFe2O4/SnO2 nanocomposites the values of complex permittivity and complex permeability in the microwave range, values of conductivity at low frequencies were investigated. Maximum values of complex permittivity and complex permeability were found for NiFe2O4/SnO2 nanocomposites at the volume content of nickel ferrite 0.62. An increase was observed in the complex permittivity for the NiFe2O4/SnO2–polychlorotrifluoroethylene system, 2–3 times greater than the values related to the NiFe2O4/SnO2 nanocomposites. The electrical conductivity at low frequencies (100 Hz) of polymer composites increases by an order of magnitude with a decrease of the concentration of nickel ferrite on the surface of tin dioxide. It was found that the calculated absorption coefficient of an electromagnetic wave in the frequency range 1–41 GHz for NiFe2O4/SnO2 nanocomposites is about 2 times greater than that for nickel ferrite. It is shown that the creation of nanocomposites based on a conductive component modified by a magnetic component is more efficient for the processes of absorption of electromagnetic waves in the microwave range at optimal ratios of the values of the permittivity and permeability than pure ferrite. [ABSTRACT FROM AUTHOR]

The aim of the current study was to find changes in the structure and state of the surface of graphene oxide (GO) under the conditions of its reduction and modification by hetero atoms of nitrogen and amino acids. Reduction of GO was performed with hydrazine hydrate (R-GO), doping with nitrogen atoms - urea impregnation and subsequent heat treatment (N-GO), and the surface of GO was modified with sulfur-containing amino acid – L-cysteine by nucleophilic addition (L-GO). The samples obtained were characterized by analytical methods, such as Raman scattering, IR spectroscopy, TPD-mass-spectrometry, dynamic light scattering spectroscopy. The available Raman spectra indicate a defective structure of GO, reduction of GO leads to greater ordering of the structure in relation to GO, nitrating and modification by amino acid - to the opposite effect, a slight deterioration of the structural state. According to the results of IR spectroscopy, also confirmed by TPD-MS, GO has a large number of functional surface groups: (OH), (C=O), (C=C), (C-O-C), (CO-O-CO), (CH). Hydrazine reduction completely hydrophobizes the surface, in the IR spectra there is only a peak at ~ 1040 cm–1, which corresponds to CO-O-CO vibrations, with significantly reduced intensity, as well as bands at 2120 and 2300 cm–1, which indicate the aromatic nature of the samples and exist in all GO derivatives. In nitrogen and sulfur-containing samples (L-GO) a new peak of ~ 1520 cm–1appears, which corresponds to N-H vibrations in amines. Sulfur-containing derivatives have valence vibrations at 600 cm–1, which most likely corresponds to S-H bonds. Thus, modification of GO leads to a significant change in its structure and surface chemistry, which in turn affects the capability of the obtained samples to capture free radicals. Previous empirical studies have shown that this property increases in the series L-GO > GO > N-GO > R-GO. [ABSTRACT FROM AUTHOR]

Polymeric construction materials based on epoxy resin, carbon fillers, such as graphene nanoplates (GNP), carbon nanotubes (CNT) and fillers of inorganic nature – perlite, vermiculite, sand with improved electrophysical characteristics have been developed. The electrophysical propertieгs of composites obtained in various ways which differ according to the principle of injecting components have been investigated. GNP were obtained in two ways. Size distribution of GNP obtained by electrochemical method is 50 to 150 nm. The average particle size is up to 100 nm. It occurs that these particles tend to aggregate as it is shown by the method of dynamic light scattering. The GNP obtained by dispersing thermally expanded graphite in water in a rotary homogenizer have a particle size distribution of 400 to 800 nm if very small particles and large aggregates are absent. The second method of obtaining GNP is less energy consuming and requires fewer manufacturing cycles, so it is more cost-effective. Obtaining composites using aqueous suspensions of GNP is environmentally friendly. Due to the hydrophobic properties of its surface the electrical conductivity of the system which uses vermiculite is higher than one of that which uses perlite for composites with CNT and GNP. It has been found that the difference of electrophysical characteristics between two systems which contain the same amount of carbon filler is caused by the nature of the surface of dielectric components – sand. By changing the content of dielectric ingredients can expand the functionality of composites if use them for shielding from electromagnetic fields. [ABSTRACT FROM AUTHOR]

Copyright of Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni is the property of National Academy of Sciences of Ukraine, Chuiko Institute of Surface Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The composites of epoxy resin-expanded graphite(EG)-vermiculite and epoxy resin-expanded graphite-perlite were obtained and their electrophysical properties were analysed at low frequencies and in the microwave range. High values (> 30) of real and imaginary components of the complex permittivity for both systems were achieved with a content of EG of less than 2 wt. %. The values of the percolation threshold and critical index of systems were defined: for a system with vermiculite the percolation transition (φc = 0.0018); and for a system with perlite (φc =0.0039). The method of impedance spectroscopy (10-2–106 Hz) shows that for all investigated composites there is no dependence of electrical conductivity to frequency, but up to a value of 103 Hz, indicating a low level of ionic conductivity. It was found that the difference in electrophysical characteristics of two systems with the same content of the expanded graphite arises due to the nature of the surface of the dielectric components. The best indicators, namely, the lower percolation threshold and the achievement of maximum electrical conductivity values at lower EG, are in the system with vermiculite. It is due to the hydrophobic properties of the surface the filler particles, as well as the effect of the flow of a dielectric particle of vermiculite by a suspension of an epoxy resin-EG, while the particles perlite is impregnated with it. Changing the content of such dielectric ingredients allows us to expand the functionality of composites when used for shielding from electromagnetic fields. [ABSTRACT FROM AUTHOR]

Metal-containing nanocomposites containing nanoparticles of organic and inorganic materials, attract considerable attention of specialists in recent years due to a large number of possible applications. NiCo nanoparticles have been obtained on the surface of unoxidized and oxidized multiwall carbon nanotubes (MWCNT) by chemical precipitation of the corresponding carbonates from a solution of hydrazine hydrate at a temperature of 350 K. Oxidation of MWCNT was carried out in a solution of potassium dichromate and sulfuric acid. The purpose of this work is to synthesize composites of MWCNT/NiCo and to find differences in their electrophysical properties dependent on the nature of the MWCNT surface. The transmission electron microscopic and radiographic studies showed the presence of phases composites with the size of crystallites of 20–30 nm. The packing density of agglomerates of metal particles is higher in composites with unoxidized MWCNT. The metal particles are arranged on the surface of MWCNT more evenly and in shape more close to spherical in composites with oxidized MWCNT. The method of thermogravimetric analysis shows that the process of composites oxidation during heating for a composite containing oxidized MWCNT is more intense. It indicates a smaller particle size of metals. The real and imaginary components of the complex dielectric and magnetic permeabilities of the disperse composites was determined by the methods of ultrahigh-frequency interferometry. The corresponding values are somewhat higher for composites containing oxidized MWCNT in the ultrahigh-frequency range. The values of imaginary magnetic permeability are higher by 18 % for unoxidized MWCNT composites at low frequencies. The electrical conductivity at low frequencies is 2.9 and 1.6 Ohm–1·cm–1 for composites containing unoxidized and oxidized MWCNTs, respectively. [ABSTRACT FROM AUTHOR]

Copyright of Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni is the property of National Academy of Sciences of Ukraine, Chuiko Institute of Surface Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni is the property of National Academy of Sciences of Ukraine, Chuiko Institute of Surface Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni is the property of National Academy of Sciences of Ukraine, Chuiko Institute of Surface Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

To study the influence of graphene (GN) and the low-intensity electromagnetic radiation (LEMP) in the range of 39.5-48.0 GHz on the vital activity of the Saccharomyces cerevisiae yeast, an investigation of the rate of gassing power of yeast suspensions in the concentration of 0.03-0.12 wt. % by means of a volumetric method is reported. Three independent series of experiments were performed: the first one included the dependence of gassing power rates of yeast suspensions on the GN concentrations; the second and third ones were done to research the rates of gassing power in the presence GN and at various LEMR frequencies, where the irradiation procedure was different. It has to be noted that the yeast aqueous suspensions (alone and in the combination with GN) were irradiated in the second series while the yeast in anabiotic state were irradiated afterward the substrate with GN was added in the third series. The respiration intensity of the yeast suspensions was assessed comparing with the blank during each experiment. The vital processes of yeast suspensions are increased by 20-25 % compared to the blank in the presence of GN in the suspension, but no change of the gassing power rate behavior (as namely an acceleration or deceleration of lag phase, the change of the curve shape, etc.) in the presence of GN was observed in some cases. The presence of GN in suspensions containing dry yeast is a motivating factor. The initial stage is more sensitive to the presence of GN in the suspension. The activity of the yeast at the final stage is more stable, almost linear and independent on the GN content in the GN concentration range. The value of the relative gassing power rate of the yeast suspensions containing GN is higher than that of blank experiment (about 30 %). The mechanism of LEMR influence on microorganisms is under discussion for a long time, there is no common hypothesis concerning the reasons of this phenomenon, as the radiation wavelength significantly exceeds not only the size of the cell organelles, but also the size of the cell. Periodicity of the peaks in the case of yeast may indicate that the resonance phenomenon takes place not due to the actions of the first harmonics but as a result of its higher one. Namely, if the living organisms were exposure to the irradiation with monochromatic LEMR sources in the millimeter range, the resonance effect would not occur. It must be noted that the effect of resonance action can occur in the radio transparent atmosphere ( = 8-14, 50-100 microns) as radiation passes the waveguides filled with air and the filtration of the signal by the atmosphere components may occur. [ABSTRACT FROM AUTHOR]