Новые публикации

The arising of ferromagnetism in Al-doped Mn2(Ga1-xAlx)C MAX phases

Zhandun, Vyacheslav S.; Zamkova, Natalia G.; Draganyuk, Oksana N.// JMMM//

https://doi.org/10.1016/j.jmmm.2024.172193

The magnetic properties of ordered MAX phases Mn2(AlxGa1−x)C (x = 0.125, 0.25, 0.5, 0.75 and 0.875) have been studied within the DFT-GGA. We have found that increase of Al atom at A-site leads to the formation of the ferromagnetic phase with large magnetization of about 3.6 μB/f.u. The investigation of the phase stability is performed by comparing the total energy of the MAX phases with that of a set of competitive phases for calculation of the phase formation enthalpy. Up to a concentration of Al atoms x = 0.7 the compound remains thermodynamically stable. The exchange constants analysis shows the crucial role of exchange interactions between manganese atoms along the c-axis in forming of ferromagnetism. The magnetic transition temperature of Mn2(AlxGa1−x)C alloys increases with increase of the aluminum concentration.

Mn-Mn Magnetic Coupling Interaction-Induced Red Emission in a Tetra-Coordinated Lattice

Wang, W., Wei, Y., Qiu, L., (...), Tu, D., Li, G.// Chemistry of Materials

https://doi.org/10.1021/acs.chemmater.4c00548

Strong magnetic coupling interactions originating from a short Mn–Mn distance in some heavy Mn2+-doped matrices have important effects on luminescence of single Mn2+ ions and close-knit Mn2+–Mn2+ pairs. However, the intrinsic mechanism of controlling spectral regulation remains elusive since the underlying relationship among Mn–Mn distances, magnetic coupling interactions, and optical properties is unclear. Herein, we create an unusual red emission (620 nm) of Mn2+ in a typical tetra-coordinated lattice of Li2CdGeO4 by simply enhancing the Mn2+-doped level in addition to regular green emission (528 nm). Although the dual emission peaks occupy the same tetra-coordinated crystallographic lattice of CdO4, different temperature-dependent emission behaviors are observed, which expands a possibility in optical thermometry sensors. Detailed Mn–Mn distances are calculated via Rietveld refinement analysis, and their effects on the Mn–Mn coupling interactions are evaluated. Furthermore, the Mn–Mn coupling interaction types are identified through electron spin resonance and magnetic measurements. The continuously decreasing distances between Mn2+ ions strengthen the dipole–dipole coupling effect, resulting in the atypical red emission in a tetra-coordinated lattice environment. These findings elucidate the spectral regulation mechanism from the perspective of magnetic coupling interactions, providing a new pathway to regulate Mn2+-related emission.

Microbially mediated synthesis of vivianite by Desulfosporosinus on the way to phosphorus recovery

Knyazev, Y.V., Platunov, M.S., Ikkert, O.P., (...), Balaev, D.A., Karnachuk, O.V.// Environmental Science: Advances//

DOI: 10.1039/D4VA00040D 

We explored the role of biomineralization in industrial waste sludge formation, using the laboratory cultivation of Desulfovibrio sp. OL sulfate reducing species isolated from the Komsomolsky waste sludge (Russia). The most frequently reported sulfate-reducing bacteria (SRB) biomineralization products are various iron sulfides. Here we present first studies of the products of Desulfosporosinus metallidurans, acidophilic SRB from acid mine drainage. We analyzed the biomineralized sample using X-ray diffraction, electron microscopy, X-ray absorption and Mössbauer spectroscopies, and magnetization measurements via First-Order Reversal Curve (FORC) diagram analysis. Our findings show that the biomineralization occurring under pure culture conditions leads to the formation of greigite (Fe3S4) nanorods, along with larger microbially mediated crystals of vivianite (Fe3(PO4)2·8H2O) and siderite (FeCO3). Energy dispersive X-ray spectroscopy revealed that the crystal sizes of vivianite and siderite were comparatively larger than those of the nanorod-shaped greigite. Transmission electron microscopy and Mössbauer spectroscopy detected ultrafine ferrihydrite (Fe2O3·nH2O) superparamagnetic nanoparticles with an average size of 2.5 nm. FORC analysis showed significant magnetic interactions among these nanoparticles, suggesting their potential for magnetic separation applications. The current study demonstrates that ferrihydrite nanoparticles have a strong magnetic affinity for other crystal phases produced by Desulfosporosinus metallidurans. Therefore, we believe that the investigated bacterial species can be exploited in advanced magnetic separation techniques. This offers a cost-effective and environmentally friendly method for purifying sediments in industrial waste sludge.

Phase Transitions and Nonlinear Optical Property Modifications in BaGa4Se7

Isaenko, L., Dong, L., Melnikova, S.V., (...), Belousov, R.A., Lin, Z.// Inorganic Chemistry//

https://doi.org/10.1021/acs.inorgchem.4c01341

Phase transitions can change the crystal structure and modify the physical properties of crystals. In this work, we investigate the phase transition behavior in BaGa4Se7, an important middle infrared (mid-IR) nonlinear optical (NLO) crystal, in the temperature range from room temperature to 1173 K. Interestingly, the BaGa4Se7 crystal undergoes a reversible ferroelastic phase transition at T = 528 K, resulting in the presence of a newly discovered phase (γ-phase) at the higher temperature. The experimental temperature dependence of optical birefringence, as well as the first-principles birefringence and NLO coefficients, reveals that the γ-phase exhibits larger birefringence and better NLO properties compared with those of the low-temperature phase (α-phase). This work demonstrates that phase-transition-induced structural modification can improve the mid-IR NLO properties, which would provide an effective avenue to obtain materials with good optoelectronic performance.

Regularity of thermal characteristics, thermoelectric properties of EuLnCuSe3 compounds (Ln = La–Lu)

Habibullayev, N.N., Burkov, A.T., Novikov, S.V., (...), Denisenko, Y.G., Andreev, O.V.// European Physical Journal Plus//

https://doi.org/10.1140/epjp/s13360-024-05155-6

The temperatures and enthalpies of the decomposition of EuLnCuSe3 compounds (Ln = La–Lu) are determined for the first time as functions of the Ln3+ ionic radius (rLn3+). The EuLnCuSe3 compounds with Ln = La and Ce decompose in the course of a solid-phase reaction to form EuSe, Ln2Se3, and Cu2−xSe, whereas those with Ln = Tb, Dy, Ho, Tm, and Lu melt incongruently to form EuSe and a melt, for example, Tdecay = 1175 K and ΔHdecay = 2.66 kJ/mol for EuLaCuSe3, while Tmelt = 1576 K and ΔHmelt = 2.69 kJ/mol for EuTbCuSe3. When plotted as functions of rLn3+, the temperatures of thermal effects of these compounds exhibit a periodic dependence and a tetrad effect. The temperature dependence of electrical resistivity and that of the Seebeck coefficient are measured from 300 to 600 K. It is shown that the studied compounds are p-type semiconductors with bandgaps ranging from 0.4 to ~ 1 eV.

Biodegradation of microbial plastic poly(3-hydroxybutyrate) in soil ecosystems at different latitudes

Prudnikova, S.V., Kiselev, E.G., Demidenko, A.V., (...), Thomas, S., Volova, T.G.// Giant//

https://doi.org/10.1016/j.giant.2024.100288

The features of the degradation of the "green" plastic poly(3-hydroxybutyrate) [P(3HB)] in the soil of various geographical regions were studied: in red ferralitic soil under tropical conditions (Kerala, India) and in chernozem soil under conditions of a sharply continental climate (Eastern Siberia, Russia). Significant differences in the chemical composition, temperature, and humidity of the studied soils were revealed. The number of bacteria and mycelial fungi in the Siberian chernozem was higher than in the red soil of India, from 2-3 to 10 or more times. The degradation of P(3HB) films in the chernozem occurred faster than in the red soil, which was drier, with a low content of humus and minerals, and fewer microorganisms than the chernozem. The half-life of polymer samples in Siberia and India was 64.8 and 126.4 days, respectively. During degradation, a decrease in the molecular weight and an increase in the degree of crystallinity of polymer samples were revealed, which indicates a more active biodegradation of the amorphous phase of the polymer by soil microorganisms. The primary degraders of the polymer have been isolated and identified, and it has been shown that the complexes of degrading bacteria and fungi in different types of soils did not have common species. Despite the presence of species with pronounced depolymerase activity, the rate of film degradation in red ferralitic soils was slowed down by unfavorable environmental conditions. The obtained results confirm the importance of studying the process of PHA degradation in natural conditions.

Adsorption properties and catalytic activity of Fe3O4-Ag nanostructures

Ivanova, O.S., Lin, C.-R., Edelman, I.S., (...), Petrov, D.A., Lin, E.-S.// Applied Surface Science//

https://doi.org/10.1016/j.apsusc.2024.160236

The morphology and magnetic properties as well as adsorption capacity and catalytic activity of Fe3O4-Ag nanoparticles synthesized by the solvothermal method were studied in dependence on the duration of the thermolysis process (3, 6, and 8 h). X-ray diffraction, transmission electron microscopy, and energy-dispersive spectroscopy measurements showed that the morphology of nanoparticles changed strongly as the duration of thermolysis increased. At 6 and 8 h duration, Fe3O4 nanocrystals grow and assemble into porous spherical globules with an Ag core (samples 2 and 3). These samples demonstrate high magnetization value and very low coercivity. The adsorption capacity of nanoparticles was studied with respect to two organic dyes: cationic methylene blue (MB) and anionic Congo red (CR). The particles showed preferential adsorption of the cationic dye. High catalytic activity towards four dyes: MB, methyl orange (MO), CR, and Rhodamine C (RhC) at the presence of NaBH4 is the remarkable property of these samples. The rate constant of the catalytic reaction was 1.4 min−1. Simultaneous exposure of CR and MO dyes to nanoparticles and NaBH4 caused their irreversible 100 % degradation while in the case of MB and RhC, a transition to their leuco form occurred.

Magnetic ordering and the role of superexchange Ni–O–B–O–Ni upon the formation of magnetic order in ludwigite Ni2MnBO5 from first-principal calculations

Sofronova, S., Chernyshev, A.// Computational Condensed Matter//

https://doi.org/10.1016/j.cocom.2024.e00918

The energies of various magnetically ordered structures for ludwigite Ni2MnBO5 have been calculated in the framework of the first-principles approach using the Wien2K program package, with the parameters of exchange interactions being determined. Two subsystems can be distinguished in the magnetic system, which are associated with the triads 4-2-4 and 3-1-3. The magnetic moments of the ions in both triads are antiferromagnetically oriented. The analysis of the exchange contribution to the energy shows that there occurs an increase of the magnetic cell relative to the crystallographic one due to antiferromagnetic ordering of the magnetic moments along the c axis in three-legged ladders formed by 4-2-4 triads. However, in three-legged ladders formed by 3-1-3 triads, the magnetic moments of the ions are ordered along the c-axis ferromagnetically. The predicted type of magnetic ordering in Ni2MnBO5 is similar to magnetic ordering in Fe3BO5. Non-collinear ordering of the magnetic moments of the subsystems at different temperatures is also likely to be observed in Ni2MnBO5, as is the case in Fe3BO5. Superexchange (indirect) interactions (No-O-B-O-Ni) influence the orientation of the magnetic moments of two 3-1-3 (4-2-4) triads within the unit cell. It is these interactions that may be responsible for the formation of long-range magnetic order in Co3BO5 and ferrimagnetic-antiferromagnetic spin-reorientation transition in Fe3BO5.

Yellow-Orange Emission in Sb3+-Doped Hexakis(thiocarbamidium) Hexabromoindium(III) Tribromide

Golovnev, N.N., Gerasimova, M.A., Belash, I.M., Zolotov, A.O., Molokeev, M.S.// Inorganic Chemistry//

https://doi.org/10.1021/acs.inorgchem.4c00555

A luminescent zero-dimensional organic–inorganic hybrid indium halide (TUH)6[In1–xSbxBr6]Br3 (TU = thiourea, 0 ≤ x ≤ 0.0998) was synthesized via the solvothermal method. In structures, resolved by single-crystal X-ray diffraction, isolated distorted [InBr6]3– and [SbBr6]3– octahedra are linked to organic TUH+ cations by intermolecular N–H···Br and N–H···S hydrogen bonds. The crystals were characterized by elemental analysis, TG-DSC, powder X-ray diffraction, FTIR analysis, and steady-state absorption and photoluminescence spectroscopy. (TUH)6[In1–xSbxBr6]Br3 exhibits a broadband yellow-orange emission centered at 595–602 nm with a half-width of 141–149 nm (0.48–0.52 eV) and a large Stokes shift of 232–238 nm (1.33–1.35 eV). This emission can be attributed to the self-trapped exciton emission of triplet states of the octahedral anion [SbBr6]3– or [InBr6]3–. Two possible emission mechanisms were discussed. Doping with Sb3+ leads to a significant increase in photoluminescence quantum yield from 25.7 at x = 0 to 48.4% at x = 0.0065, when excited at 365 nm, indicating the potential use of (TUH)6[In1–xSbxBr6]Br3 compounds in the field of photonics.

Ceramic Substrates for Filtration Membranes Based on Fine Fly Ash Microspheres

Fomenko, E.V., Akimochkina, G.V., Anshits, A.G., (...), Maksimova, A.A., Ryzhkov, I.I.// Membranes and Membrane Technologies//

https://doi.org/10.1134/S2517751624020033

A procedure has been proposed for producing ceramic substrates for filtration membranes based on a narrow fraction of fine fly ash microspheres using cold uniaxial pressing followed by high-temperature firing. It has been shown that increasing the sintering temperature from 1000 to 1150°C leads to a decrease in open porosity from 40 to 24%, a decrease in the average pore size from 1.60 to 0.34 μm, and an increase in the compressive strength from 9.5 to 159 MPa. The resulting substrates are characterized by water permeability values of 1210, 310, 240, 170 L m−2 h−1 bar−1 at sintering temperatures of 1000, 1050, 1100 and 1150°C, respectively. Experiments on filtration of aqueous suspensions of fine microspheres (dav = 2.5 µm) and microsilica (dav = 1.9 μm) through a substrate produced at a sintering temperature of 1150°C have shown the rejection close to 100%. The proposed methodology for using ash waste in the production of membrane materials promotes the development of technologies for the integrated processing of thermal energy waste.

Photonic bound states in the continuum governed by heating

Krasnov, A.I., Pankin, P.S., Romanenko, G.A., (...), Vetrov, S.Y., Timofeev, I.V.// Physical Review E//

https://doi.org/10.1103/PhysRevE.109.054703

A photonic crystal microcavity with the liquid crystal resonant layer tunable by heating has been implemented. The multiple vanishing resonant lines corresponding to optical bound states in the continuum are observed. The abrupt change in the resonant linewidth near the vanishing point can be used for temperature sensing.

Multiple-beam interferometry from navigation satellite signals in layered structures of forests and ice of freshwater reservoirs

Kharlamov, D.V., Podoprigora, V.G., Reushev, M.Yu., Makarov, D.S., Vasil’ev, E.N.// Sovremennye Problemy Distantsionnogo Zondirovaniya Zemli iz Kosmosa//

Современные проблемы дистанционного зондирования Земли из космоса. 2024. Т. 21. № 2. С. 51-60

Представлены результаты серии измерений амплитудно-временной зависимости интерференционного поля сигналов глобальных навигационных спутниковых систем (ГНСС) диапазона L1 (λ ≈ 0,19 м) при отражении от слоистых сред: снежно-ледового покрова пресноводного озера в зимне-весенний период и вблизи лесного массива. По результатам измерений выполнены: первичная выборка данных измерений с использованием облачного сервиса, последующая обработка данных путём быстрого фурье-преобразования (БФП) и дальнейший анализ результатов с помощью методик, применяемых в многолучевой ГНСС-рефлектометрии. Для анализа полученных рефлектограмм использована модель многолучевой интерференции в слоистых средах, для чего привлечена схема геометрической оптики. Это позволило, используя коэффициенты пропускания и отражения Френеля, рассчитать амплитуду и фазу волн, пришедших наряду с прямым сигналом на приёмную антенну. В дополнение к экспериментальным данным в работе представлены результаты вычислительного моделирования динамики снежно-ледового покрова, что позволило определить его температурный режим, состояние, другие термодинамические характеристики. Моделирование проведено на основе численного решения задачи Стефана в обобщённой постановке с учётом локальных климатических данных. Это позволило не только оценить текущее состояние слоёв, но и спрогнозировать их динамическое развитие с использованием метеорологических прогнозов. Результаты исследования могут применяться для мониторинга состояния ледового покрова от становления до таяния, а также лесных массивов с целью анализа их влажности, пожароопасности и густоты посадки.

Features of the melt–solution synthesis of the TbCr3(BO3)4 single crystals

Gudim, I.A., Mikhashenok, N.V., Vasiliev, A.D., (...), Skorobogatov, S.A., Pankrats, A.I.// Journal of Crystal Growth//

https://doi.org/10.1016/j.jcrysgro.2024.127716

The phase formation of terbium chromoborate TbCr3(BO3)4 in the bismuth trimolybdate and lithium tungstate melt–solutions has been studied. The absence of the terbium chromoborate trigonal phase in the bismuth trimolybdate-based system at all component ratios has been shown. The component ratio in the lithium tungstate-based system has been found at which the TbCr3(BO3)4 trigonal crystals are formed at temperatures above 1100 °C; below this temperature, the monoclinic phase dominates. The structural and magnetic properties of the grown crystals have been studied. It has been established that the trigonal and monoclinic TbCr3(BO3)4 crystals synthesized from the lithium tungstate-based solvent exhibit identical magnetic properties. At the same time, a significant difference of the magnetic properties of the single crystals synthesized from the bismuth molybdate melt–solution has been observed. This difference has been attributed to the effect of Bi3+ ions that partially replace Tb3+ ions.

First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm)

Chernyshev, V.A., Ruseikina, A.V., Grigoriev, M.V., Krylova, S.N., Safin, D.A.// Inorganic Chemistry Communications//

https://doi.org/10.1016/j.inoche.2024.112449

The structure and properties of three layered heterometallic quaternary sulfides SrLaCuS3, SrNdCuS3 and SrTmCuS3 were studied for the first time using first-principles calculations in the stoichiometric and nonstoichiometric approximations. The applied DFT-based computations were performed using a hybrid functional with the contribution of nonlocal exchange in the Hartree-Fock formalism. It was revealed that the nonstoichiometry of SrLaCuS3 and SrNdCuS3 must be considered for modeling phonon spectra, elastic properties and band gaps. The wavenumbers and types of the Raman and “silent” modes at the Г-point were determined. From the analysis of displacement vectors, the degree of participation of ions in each mode was determined. The elastic constants and elastic moduli of the reported sulfides were calculated.

Solid state synthesis, structural, DFT and spectroscopic analysis of EuAl3(BO3)4

Oreshonkov, A.S., Aleksandrovsky, A.S., Chimitova, O.D., (...), Pugachev, A.M., Nemtsev, I.V.// Materials Chemistry and Physics//

https://doi.org/10.1016/j.matchemphys.2024.129400

Huntite-like borates are versatile and promising materials with wide range of applications in frequency conversion, UV light generation, lighting, displays, quantum information storage, and more, demonstrated by their various properties and uses in scientific research. In this work, EuAl3(BO3)4 powder was prepared through multi-stage solid-state reaction method using high-purity starting reagents: Eu2O3, Al2O3 and H3BO3, considering a 20 wt% excess of H3BO3 to compensate for B2O3 volatilization. Obtained samples undergo several treatments at varying temperatures and their phase purity is subsequently verified through powder X-ray diffraction analysis. The scanning electron microscopy reveals that resulting EuAl3(BO3)4 powder consists of granules exhibiting irregular morphologies with dimensions of 0.5–8 μm. The electronic band structure of EuAl3(BO3)4, calculated using the GGA PBE method, reveals f-states of Eu near 4 eV. These states do not produce emphasized peaks on simulated absorbance spectra. Using of DFT + U for the f-states of Eu pushed up f-bands above 6 eV and the charge transfer from p-O to d-Eu was obtained (Egdirect = 5.63 eV, Egindirect = 5.37 eV using Ueff = 4 eV). The variation of Ueff has a weak influence on the position of the bottom of the conduction band. The experimental bandgaps of EuAl3(BO3)4 crystalline powder, both direct and indirect, are found to be 3.96 and 3.67 eV, correspondingly. These values are lower than theoretical values what is associated with limitations of DFT calculations involving f electrons. The Raman spectrum of EuAl3(BO3)4 powder is discussed, detailing the contributions of different ions to specific spectral bands. Investigation of high-resolution luminescence spectra shows the possibility to estimate the content of defects by the testing the violation of the prohibition of ultranarrow 5D0 → 7F0 line that is forbidden in the ideal crystalline structure of trigonal EuAl3(BO3)4.

Synthesis, structure and magnetic properties of monoclinic lanthanum-chromium borate LaCr3(BO3)4

Volkova, E.A., Platunov, M.S., Antipin, A.M., (...), Koporulina, E.V., Maltsev, V.V.// Journal of Alloys and Compounds//

https://doi.org/10.1016/j.jallcom.2024.174683

Single crystals of LaCr3(BO3)4 were synthesized through spontaneous nucleation from a K2Mo3O10 flux melt. The crystal structure was determined using single-crystal X-ray diffraction (XRD) at temperatures of 293 K and 85 K. LaCr-borate crystallizes in the monoclinic C2/c space group with unit cell parameters a = 7.47980(5) Å, b = 9.55180(7) Å, c = 11.48330(8) Å, β= 104.0060(6)°, V = 796.04(1) Å3 (for C1, T = 293 K), and a = 7.47380(5) Å, b = 9.55520(7) Å, c = 11.47100(8) Å, β = 103.9330(6)°, V = 795.08(1) Å3 (for C2, T = 85 K), each with Z = 4. The temperature dependence of the unit cell parameters, including the monoclinic angle (β) and the unit cell volume (V), was investigated over the range of 85–293 K. No structural phase transitions were observed in the low-temperature region down to 85 K. Differential scanning calorimetry (DSC) measurements revealed no high-temperature phase transitions between 50 and 1350°C. Infrared (IR) spectroscopy confirmed the monoclinic structure of LaCr3(BO3)4 crystals, revealing characteristic absorption bands, including the lowest frequency mode associated with the translational vibrations of the La3+ ion.

Studying the Ferromagnetic Resonance Heating of an Isotropic Superparamagnet by the Example of Biogenic Ferrihydrite Nanoparticles

Stolyar, S.V., Li, O.A., Vorotynov, A.M., (...), Ladygina, V.P., Shokhrina, A.O.// Bulletin of the Russian Academy of Sciences: Physics//

https://doi.org/10.1134/S106287382370627X

Ferrihydrite nanoparticles are synthesized and characterized. The dependences of heating of powders are studied upon pumping by a high-frequency electromagnetic field on a dc magnetic field. It is shown that the experimental dependence of the temperature of particles on a dc magnetic field is consistent with the theory of ferromagnetic resonance for an isotropic superparamagnet.

Ferromagnetic Resonance and Magnetic Anisotropy of 3d-Metal Wires with Composition Gradients

Denisova, E.A., Chekanova, L.A., Komogortsev, S.V., (...), Nemtsev, I.V., Li, O.A.// Bulletin of the Russian Academy of Sciences: Physics//

https://doi.org/10.1134/S1062873823706244

Results are presented from investigating the ferromagnetic resonance spectra of arrays of Co‒Ni and Co‒Fe‒Ni wires with different composition gradients, deposited into polycarbonate track-etched membranes. The effect interfaces and concentration gradients have on the effective fields of the investigated wires is examined. An anomalous angular dependence of the fields of ferromagnetic resonance is observed for the wire arrays at a pore density of ~18% in the membrane.

Correction to: Laser Processing of Polymer Films Fabricated from PHAs Differing in Their Monomer Composition

Volova, T.G., Golubev, A.I., Nemtsev, I.V., (...), Dudaev, A.E., Shishatskaya, E.I.// Polymers//

 https://doi.org/10.3390/polym13101553

The study reports results of using a CO2-laser in continuous wave (3 W; 2 m/s) and quasi-pulsed (13.5 W; 1 m/s) modes to treat films prepared by solvent casting technique from four types of polyhydroxyalkanoates (PHAs), namely poly-3-hydroxybutyrate and three copolymers of 3-hydroxybutyrate: with 4-hydroxybutyrate, 3-hydroxyvalerate, and 3-hydroxyhexanoate (each second monomer constituting about 30 mol.%). The PHAs differed in their thermal and molecular weight properties and degree of crystallinity. Pristine films differed in porosity, hydrophilicity, and roughness parameters. The two modes of laser treatment altered these parameters and biocompatibility in diverse ways. Films of P(3HB) had water contact angle and surface energy of 92° and 30.8 mN/m, respectively, and average roughness of 144 nm. The water contact angle of copolymer films decreased to 80–56° and surface energy and roughness increased to 41–57 mN/m and 172–290 nm, respectively. Treatment in either mode resulted in different modifications of the films, depending on their composition and irradiation mode. Laser-treated P(3HB) films exhibited a decrease in water contact angle, which was more considerable after the treatment in the quasi-pulsed mode. Roughness parameters were changed by the treatment in both modes. Continuous wave line-by-line irradiation caused formation of sintered grooves on the film surface, which exhibited some change in water contact angle (76–80°) and reduced roughness parameters (to 40–45 mN/m) for most films. Treatment in the quasi-pulsed raster mode resulted in the formation of pits with no pronounced sintered regions on the film surface, a more considerably decreased water contact angle (to 67–76°), and increased roughness of most specimens. Colorimetric assay for assessing cell metabolic activity (MTT) in NIH 3T3 mouse fibroblast culture showed that the number of fibroblasts on the films treated in the continuous wave mode was somewhat lower; treatment in quasi-pulsed radiation mode caused an increase in the number of viable cells by a factor of 1.26 to 1.76, depending on PHA composition. This is an important result, offering an opportunity of targeted surface modification of PHA products aimed at preventing or facilitating cell attachment.

Crystal growth and cation order of Ni3-xCoxB2O6 oxyborates

Svetlana Sofronova, Evgeniya Moshkina, Artem Chernyshev, Aleksandr Vasiliev, Nikolai G. Maximov, Aleksandr Aleksandrovsky, Tatyana Andryushchenko and Aleksandr Shabanova // Crystengcomm //

DOIhttps://doi.org/10.1039/D4CE00091A

A series of single crystals of Ni3−xCoxB2O6 compounds with the kotoite structure and with different concentrations of transition metal ions (x = 0; 0.19; 0.6; 0.93 and 2) were obtained. The lattice parameters and atomic coordinates were determined using X-ray diffraction. The theoretical calculations using the WIEN2k package predict that nickel ions tend to occupy the 4f crystallographic position, while cobalt ions tend to occupy the 2a crystallographic position. The study of the diffuse scattering spectra and comparison of the Racah parameters for the compounds Ni3B2O6 and Co2NiB2O6 provides experimental evidence that nickel ions occupy crystallographic position 4f.

Tamm plasmon polariton-based planar hot-electron photodetector for the near-infrared region

Konov, Yurii V; Pykhtin, Dmitrii A; Bikbaev, Rashid G; Timofeev, Ivan V// Nanoscale//

 DOIhttps://doi.org/10.1039/D4NR00710G

Light-trapping devices have always been a topic of intense interest among researchers. One such device that has gained attention is the hot-electron photodetector with a tunable detection wavelength. Photodetectors based on plasmon nanostructures that provide excitation of surface plasmon polaritons are challenging to manufacture. To address this issue, a planar hot-electron photodetector based on a Tamm plasmon polariton localized in a metal–semiconductor-multilayer mirror structure has been proposed in this study. The parameters and materials of the structure were adjusted to ensure perfect absorption at the resonance wavelength. As a result, the photoresponsivity of the proposed device can reach 42.6 mA W−1 at 905 nm. For the first time, the photosensitivity was calculated analytically by solving the dispersion law for the Tamm plasmon polariton.

Unveiling Temperature-Induced Structural Phase Transition and Luminescence in Mn2+-Doped Cs2NaBiCl6 Double Perovskite

Banerjee, S., Saikia, S., Molokeev, M.S., Nag, A.// Chemistry of Materials//

https://doi.org/10.1021/acs.chemmater.4c00514

Halide double perovskites like Cs2NaBiCl6 are good host materials for luminescent dopants like Mn2+. The nature of photoluminescence (PL) depends on the local structure around the dopant ion, and doping may sometimes influence the global structure of the host. Here, we unveil the correlation between the temperature-induced (global) structural phase transition of Mn2+-doped Cs2NaBiCl6 with the local structure and PL of the Mn2+ dopant. X-ray diffraction analysis shows Mn2+-doped Cs2NaBiCl6 is in a cubic (Fm3m) phase between 300 and 110 K, below which the phase changes to tetragonal (I4/mmm), which persists at least until 15 K. The small (∼1%) doping amount does not alter the phase transition behavior of Cs2NaBiCl6. Importantly, the phase transition does not influence the Mn2+ d-electron PL. The PL peak energy, intensity, spectral width, and lifetime do not show any signature of the phase transition between 300–6 K. The hyperfine splitting in temperature-dependent electron paramagnetic spectra of Mn2+ ions also remain unchanged across the phase transition. These results suggest that the global structural phase transition of the host does not influence the local structure and emission property of the dopant Mn2+ ion. This structure–property insight might be explored for other transition-metal- and lanthanide-doped halide double perovskites as well. The stability of dopant emission regardless of the structural phase transition bodes well for their potential applications in phosphor-converted light emitting diodes.

Distribution of Cobalt Co2+ Ions in Single Crystals of Spinel Li0.5Ga2.5O4

Shapovalov, V.V., Shapovalov, V.A., Drokina, T.V., Vorotynov, A.M., Val’kov, V.I.// Physics of Metals and Metallography//

https://doi.org/10.1134/S0031918X23602883

The distribution of Co2+ ions over sublattices and structurally nonequivalent positions in the unit cell of the crystal lattice of a single crystal of lithium gallium spinel Li0.5Ga2.5O4 is shown. This distribution determines the properties of both mono- and nanocrystalline substances. The distribution is obtained by a special technology and is manifested in the electron paramagnetic resonance (EPR) spectra. The distribution of Co2+ ions depends on the structural and magnetic nonequivalence. The structural and magnetic nonequivalence causes a multiminimum behavior of the crystal field potential in the unit cells of single crystals at the locations of Co2+ ions. The Co2+ ions are found in complexes with tetrahedral and octahedral oxygen ions. Three types of EPR spectra of Co2+ ions have been found and investigated. The [Math Processing Error]Cotetr2+ spectrum is attributed to the Co2+ ion, which replaces the Ga3+ ion located in a tetrahedral oxygen environment. The spectrum of the [Math Processing Error]Cooct2+ ion located in the crystal field with axial symmetry belongs to the Co2+ ion replacing the Li+ ion located in an octahedral oxygen environment. The spectrum of the [Math Processing Error]Cooct2+ ion located in a low symmetry crystal field belongs to the Co2+ ion replacing the Ga3+ ion located in an octahedral oxygen environment. The nearest cationic environment of the ion creates rhombic distortions due to the different valence numbers of Li+ and Ga3+. The results of studying the angular dependences of the spectra show the presence of four and twelve magnetically nonequivalent positions in the unit cells.

Dual Band HTSC Power Limiter

Afonin, A.O., Alexandrovsky, A.A., Govorun, I.V., (...), Ugryumov, A.V., Ogorodnikov, D.K.// Journal of Siberian Federal University - Mathematics and Physics//

Журн. СФУ. Сер. Матем. и физ., 17:2 (2024), 162–168

Предложена новая конструкция ВТСП ограничителя мощности с двумя рабочими полосами. Ограничитель содержит два микрополосковых полосно-пропускающих фильтра. Каждый фильтр состоит из двух четвертьволновых резонаторов, которые связаны между собой через составной полуволновый резонатор, содержащий пленку из высокотемпературного сверхпроводника. Макет устройства в открытом режиме имеет ширины рабочих полос пропускания 10% и 11% с центральными частотами 1.48 ГГц и 2.03 ГГц. Минимальные вносимые потери составили 1.9 дБ и 1.7 дБ для НЧ- и ВЧ-каналов соответственно. Передаточные характеристики устройства были исследованы до уровня СВЧ-мощности 3.15 Вт.

Enrichment of a fullerene mixture with endohedral metallofullerenes: methodology and evaluation

Vnukova, N.G., Nikolaev, N.S., Bartseva, L.S., (...), Isakova, V.G., Churilov, G.N.// Fullerenes Nanotubes and Carbon Nanostructures//

https://doi.org/10.1080/1536383X.2024.2338524/

 

A fullerene mixture was enriched with endohedral metallofullerenes (EMF) using Lewis acid (TiCl4), which took 22 min, whereas the standard method requires about 8 h. An algorithm for assessing small-area chromatographic peaks has been proposed, which has improved the accuracy of determination. For example, the area of the C84 peak was 4.24% using the developed program, while the use of chromatograph software estimated the area of this peak to be 1.78%.

Synthesis and Activation of TiO2 Photonic Crystal Structures for Enhanced Photoelectrochemical Water Splitting

Kenova, Tatyana A.; Zos’ko, Nikolay A.; Pyatnov, Maxim V.; Aleksandrovsky, Aleksandr S.; Maksimov, Nikolay G.; Zhizhaev, Anatoly M.; Taran, Oxana P.// Journal of Siberian Federal University: Chemistry//

full  text

TiO2 photonic crystal nanostructure films are anodic synthesized with pulsed and stepwise voltage changes. The obtained photonic structures were activated by cyclic voltammetry in 0.5M Na2SO4. The photoelectrochemical activity of the electrodes was studied in the water splitting reaction in the wavelength range 360–700 nm. Activation leads to a change in the band gap energy, a red shift in the IPCE spectrum and an increase in its values in the studied wavelength range

Investigation of Surface Magnetism in Systems Based on MnBi2Te4 Using the Magneto-Optical Kerr Effect

D. A. Glazkova, D. A. Estyunin, A. S. Tarasov, N. N. Kosyrev, V. A. Komarov, G. S. Patrin, V. A. Golyashov, O. E. Tereshchenko, K. A. Kokh, A. V. Koroleva & A. M. Shikin // Crystallography Reports//

https://doi.org/10.1134/S1063774523601296

MnBi2Te4, Mn(Bi,Sb)2Te4, and MnBi2Te4(Bi2Te3)m (m ≥ 1) are assigned to magnetic topological insulators. Successful application of these materials in nanoelectronic devices calls for comprehensive investigation of their electronic structure and magnetic properties in dependence of the Bi/Sb atomic ratio and the number m of Bi2Te3 blocks. The magnetic properties of the surface of MnBi2Te4, MnBi4Te7, and Mn(Bi1−�Sbx)2Te4 compounds (x = 0.43 and 0.32) have been studied using the magneto-optical Kerr effect. It is shown that the temperatures of magnetic transitions on the surface and in the bulk of MnBi4Te7 and Mn(Bi, Sb)2Te4 differ significantly.

Bound states in the continuum in dielectric resonators embedded into metallic waveguide

Bulgakov, E., Pilipchuk, A., Sadreev, A.// All-Dielectric Nanophotonics//

https://doi.org/10.1016/B978-0-32-395195-1.00012-0

We consider dielectric cavities whose radiation space is restricted by two parallel metallic planes. The TE solutions of the Maxwell's equations of the system are equivalent to the solutions of periodical arrays of dielectric cavities. The system readily allows to achieve bound states in the continuum (BICs) of any type, including topological BICs that depends on the position and orientation of the cavities relative to the planes. This facilitates experimental studies immensely compared to infinite arrays of the cavities. We show the effect of merging topologically protected BICs, which pushes the square asymptotic of the Q-factor to the power degree of 4 or even 6.

Synthesis and Study of Superhigh-Concentrated Organosols of Silver Nanoparticles

Vorobyev, S.A., Flerko, M.Y., Novikova, S.A., (...), Zolotovsky, N.A., Volochaev, M.N.// Colloid Journal//

https://doi.org/10.1134/S1061933X23601294

Due to their unique properties, organosols of silver nanoparticles are widely used in optical and semiconductor devices, to produce electrically and thermally conductive films, as catalysts, antibacterial materials, etc. This work proposes a simple and highly productive method for the preparation of silver organosols, which have a metal concentration as high as 1800 g/L and contain spherical nanoparticles with low polydispersity and a median size of 9.1 nm. The method consists in the initial preparation of silver nanoparticle hydrosols with a concentration of higher than 30 g/L followed by the transfer of the NPs into an organic phase of o-xylene. A set of physical research methods has been employed to study the regularities of the extraction of silver nanoparticles with o-xylene in the presence of cetyltrimethylammonium bromide (CTAB) and ethanol and to determine the optimal process conditions, under which the extraction degree is as high as 62.5%. It has been found that bromine anions contained in CTAB molecules cause the aggregation of some amount of silver nanoparticles with the formation of silver metal sediment in the aqueous phase. According to X-ray photoelectron spectroscopy data, the sediment contains bromide ions (up to 4 at %) on the particle surface. Organosols synthesized under optimal conditions are stable for more than 7 months and withstand repeated cycles of drying and redispersing. Silver organosols have been used to obtain metal films with an electrical conductivity of about 68 500 S/cm, which increases to 412 000 and 509 500 S/cm (87.8% of the electrical conductivity of bulk silver) after thermal treatment at 150 and 250°C, respectively.

 

Magnetic Structure of Fe5O6: Group-Theoretical Analysis and DFT Calculations

Zhandun, V.S., Kazak, N.V., Vasiukov, D.M.// JETP Letters//

https://doi.org/10.1134/S0021364023604244

The magnetic structure of Fe5O6 is studied using a combination of the group-theoretical analysis and DFT + U calculations of the electronic spectrum. The calculations are performed for the magnetic k = (0, 0, 0) vector. The magnetic ground state corresponds to the orthogonal ordering of two magnetic subsystems:  the magnetic moments of Fe2+/Fe3+ ions located at the octahedral sites (slabs of octahedra) are directed along the c axis and are antiferromagnetically ordered, whereas the magnetic moments of Fe2+ ions in trigonal prisms forming one-dimensional chains are directed along the b axis and are antiferromagnetically coupled along the c axis. The formation of a nonzero antiferromagnetic component of magnetic moments in the slabs of octahedra directed along the b axis is caused by the effect of magnetic chains on the three-dimensional magnetic structure.

 

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