Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bobrov P. P., Kroshka E. S., Muzalevskiy K. V.
Заглавие : The effect of dielectric relaxation processes on the complex dielectric permittivity of soils at frequencies from 10 kHz to 8 GHz—Part II: Broadband analysis
Колич.характеристики :11 с
Место публикации : IEEE Trans. Geosci. Remote Sens. - 2024. - Vol. 62. - Ст.2000411. - ISSN 01962892 (ISSN), DOI 10.1109/TGRS.2023.3340693. - ISSN 15580644 (eISSN)
Примечания : Cited References: 51
Аннотация: This article is the second in a series evaluating the effect of dielectric relaxation processes on the relatively effective complex dielectric permittivity (RCP) of soils. Part II is based on the results of experimental measurements in the frequency range 10 kHz to 8–20 GHz. The broadband dielectric spectrum model includes the high-frequency part as a model of the dielectric mixture and the relaxation part as the sum of three relaxation processes modeled by the Debye and Cole–Cole formulas. For modeling the high-frequency part of the spectrum, the Dobson and Mironov models were considered as possible options. As stated in Part I, the influence of relaxation processes on the imaginary part of the RCP extends up to frequencies of units of gigahertz. The increase in the imaginary part in these models was compensated by unrealistically high values of the specific electrical conductivity of free and bound water. We examined the correspondence of these models to experimental data at frequencies above 2–5 GHz, assuming that the conductivity of bound and free water is zero. The parameters of relaxation processes were found while solving the least-square optimization problem using the technique for determining the continuous distribution of relaxation times (DRTs). Found process parameters depend on the content of clay, organic carbon, and moisture of the samples. The more clay is in the soil, the greater the strength of these processes is. The influence of organic carbon with the conditions being equal consists in the reduction of the real and imaginary parts of RCP.
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Вид документа : Статья из журнала
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Автор(ы) : Begunovich L. V., Kovaleva E. A., Korshunov M. M., Shabanov V. F.
Заглавие : Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: A DFT study of the B800 part
Колич.характеристики :7 с
Место публикации : J. Photochem. Photobiol. A: Chem. - 2024. - Vol. 450. - Ст.115454. - ISSN 10106030 (ISSN), DOI 10.1016/j.jphotochem.2023.115454. - ISSN 18732666 (eISSN)
Примечания : Cited References: 42. - This work was supported by the state assignment of the Ministry of Science and Higher Education of the Russian Federation. Authors would like to thank Information Technology Centre, Novosibirsk State University for providing access to their supercomputers. L.V.B. would like to thank Irkutsk Supercomputer Center of SB RAS for providing the access to HPC-cluster «Akademik V.M. Matrosov» (Irkutsk Supercomputer Center of SB RAS, Irkutsk: ISDCT SB RAS; http://hpc.icc.ru, accessed 20.10.2023)
Аннотация: We’ve studied the B800 part of Rhodoblastus acidophilus light-harvesting complex (LH2) by several quantum chemical techniques based on the density functional theory (DFT) and determined the specific method and a minimal reliable model suitable for further studies of the LH2. In addition to bacteriochlorophyll a molecules, the minimal model includes two α and one β chain amino acids. Within the model, we are able to reproduce the contribution of the B800 ring of nine bacteriochlorophyll a molecules to the near infrared Qy absorption band. We also discuss the use of hybrid DFT calculations for precise energy and optical estimations and DFT-based tight binding (DFTB) method for the large-scale calculations. Crucial importance of Hartree-Fock exchange interaction for the correct description of B800 peak position was shown.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Bogdanov E. V., Laptash N. M.
Заглавие : Chemical pressure as an effective tool for tuning the structural disordering and barocaloric efficiency of complex fluorides (NH4)3MF7 (M: Sn, Ti, Ge, Si)
Колич.характеристики :18 с
Место публикации : J. Phys. D: Appl. Phys. - 2024. - Vol. 57, Is. 17. - Ст.175301. - ISSN 00223727 (ISSN), DOI 10.1088/1361-6463/ad211b. - ISSN 13616463 (eISSN)
Примечания : Cited References: 39. - The study was supported by a Grant from the Russian Science Foundation No. 23-22-00115, https://rscf.ru/project/23-22-00115/
Аннотация: Double fluoride salts (NH4)3M4+F7 (M4+: Sn, Ti, Ge, Si) demonstrate a high efficiency of using chemical pressure as a tool for control and tuning structural ordering/disordering, sensitivity to hydrostatic pressure, successions of the phase transitions, etc and, as a result, for purposeful variation within a wide range of parameters of barocaloric effect (BCE). The conventional and inverse BCEs near the triple points were found on the T − p phase diagrams, combination of which can be used to construct original cooling cycle in narrow temperature and pressure ranges. Reconstructive transformation between two cubic phases, Pm3-m ↔ Pa3-, realized in (NH4)3SnF7 at atmospheric pressure and in (NH4)3TiF7 at p ˃ 0.4 GPa are characterized by rather low thermal hysteresis, δT0 = 1 K, and a great entropy change, ΔSBCE = 110–152 J (kg · K)−1, depending on the size of the central atom. At above 300–350 K, a contribution to BCE associated with the regular thermal expansion of the crystal lattice becomes comparable to entropy and temperature changes under pressure in the region of the phase transitions. An analysis of the absolute, relative and integral barocaloric characteristics of (NH4)3M4+F7 compounds showed their high competitiveness with respect to other barocaloric materials considered as promising solid-state refrigerants.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedchenko D., Kulikov V., Timofeev I. V.
Заглавие : Rudner photonic topological insulators in the language of the Zhegalkin operators
Колич.характеристики :5 с
Место публикации : Nonlinear Phenom. Complex Syst. - 2023. - Vol. 26, Is. 1. - P.72-76. - ISSN 15614085 (ISSN), DOI 10.33581/1561-4085-2023-26-1-72-76. - ISSN 18172458 (eISSN)
Примечания : Cited References: 5
Аннотация: A topological insulator is a material that exhibits the properties of a conductor on the surface and of an insulator in the bulk. The Rudner game is a simplified model of a topological insulator implemented on a two-dimensional photonic lattice of resonators, which is described in the language of tricolor four-cycle two-dimensional Wolfram cellular automata. It is a case of a regular two-dimensional lattice, in which each cell is colored in one of three colors (for a photonic topological insulator, these colors mean the presence of a photon in a resonator, the absence of a photon, and a topological insulator boundary). By setting the transformation rule for each cell, depending on the state of the nearest neighbors and the cell itself, for equal discrete time intervals we obtain a cellular automaton. In this study, the Rudner game is rewritten equivalently in terms of operators in the Zhegalkin polynomial ring with coefficients in a field consisting of three elements.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Azarapin N. O., Khritokhin N. A., Atuchin V. V., Gubin A. A., Molokeev M. S., Mukherjee S., Andreev O. V.
Заглавие : Kinetics and mechanism of BaLaCuS3 oxidation
Место публикации : Crystals. - 2023. - Vol. 13, Is. 6. - Ст.903. - ISSN 20734352 (eISSN), DOI 10.3390/cryst13060903
Примечания : Cited References: 65. - The work was partially carried out using the resources of the Research Resource Center “Natural Resources Management and Physico-Chemical Research” (Tyumen University) with financial support from the Ministry of Science and Higher Education of the Russian Federation (contract No. 05.594.21.0019., Unique identification number RFMEFI59420X0019). M.S. Molokeev was supported by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3)The authors would like to thank the staff of the Engineering Center of the Tyumen State University (special Alexej V. Matigorov) for their help in carrying out physical and chemical tests
Аннотация: The oxidation reactions of BaLaCuS3 in the artificial air atmosphere were studied at different heating rates in the temperature range of 50–1200 °C. The oxidation stages were determined by DSC-TG, XRD and IR–vis methods. The kinetic characteristics of the proceeding reactions were obtained with the use of the Kissinger model in a linearized form. Compound BaLaCuS3 was stable in the air up to 280 °C. Upon further heating up to 1200 °C, this complex sulfide underwent three main oxidation stages. The first stage is the formation of BaSO4 and CuLaS2. The second stage is the oxidation of CuLaS2 to La2O2SO4 and copper oxides. The third stage is the destruction of La2O2SO4. The final result of the high-temperature treatment in the artificial air atmosphere was a mixture of barium sulfate, copper (II) oxide and La2CuO4. The mechanism and stages of BaLaCuS3 oxidation and further interactions of the components were discussed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Matveeva A. N., Zobkalo I. A., Meven M., Freidman A. L., Semenov S. V., Terentjev K. Yu., Pavlovskiy N. S., Kolkov M. I., Shaykhutdinov K. A., Hutanu V.
Заглавие : Complex interplay between 3d and 4f magnetic systems in multiferroic DyMnO3
Место публикации : J. Magn. Magn. Mater. - 2023. - Vol. 569. - Ст.170415. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2023.170415
Примечания : Cited References: 28. - The authors are grateful to S.V. Gavrilov for the technical assistance. This work was supported by the Russian Foundation for Basic Research grant # 19-52-12047, and DFG grant # SA 3688/1-1, also by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects number 18-42-243024 and 20-42-243008. The neutron data were obtained at the instrument HEiDi operated jointly by RWTH Aachen University and Jülich Centre for Neutron Science within JARA cooperation
Аннотация: Structural and magnetic properties of single crystals of DyMnO3 were investigated by neutron diffraction in order to study the peculiarities of 3d-4f interactions in this compound. Precise magnetic order and its detailed temperature evolution were determined using single crystal neutron diffraction. Elliptical cycloid on manganese subsystem below TCh = 19 K was confirmed, with temperature decrease the elipticity of the Mn magnetic structure reduces significantly, creating almost circular cycloid. Temperature evolution of the magnetic structure demonstrate specific hysteretic behavior. The results show a complex interplay between transition metal and rare earth magnetic sublattices leading to so-called “Mn- controlled” and “Dy- controlled” magnetic states. The strong and complicate 3d-4f interaction leads to the unusual very slow magnetic structure relaxation.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lim, Chang S., Aleksandrovsky A. S., Molokeev M. S., Oreshonkov A. S., Atuchin V.
Заглавие : Structural and spectroscopic effects of Li+ substitution for Na+ in LixNa1–xCaLa0.5Er0.05Yb0.45(MoO4)3 upconversion scheelite-type phosphors
Место публикации : Crystals. - 2023. - Vol. 13, Is. 2. - Ст.362. - ISSN 20734352 (eISSN), DOI 10.3390/cryst13020362
Примечания : Cited References: 63. - This study was funded by the Research Program through the Campus Research Foundation funded by Hanseo University in 2022 (2022046)
Аннотация: New triple molybdates LixNa1−xCaLa0.5(MoO4)3:Er3+0.05/Yb3+0.45 (x = 0, 0.05, 0.1, 0.2, 0.3) were manufactured successfully using the microwave-assisted sol-gel-based technique (MAS). Their room-temperature crystal structures were determined in space group I41/a by Rietveld analysis. The compounds were found to have a scheelite-type structure. In Li-substituted samples, the sites of big cations were occupied by a mixture of (Li, Na, La, Er, Yb) ions, which provided a linear cell volume decrease with the Li content increase. The increased upconversion (UC) efficiency and Raman spectroscopic properties of the phosphors were discussed in detail. The mechanism of optimization of upconversion luminescence upon Li content variation was shown to be due to the control of excitation/energy transfer channel, while the control of luminescence channels played a minor role. The UC luminescence maximized at lithium content x = 0.05. The mechanism of UC optimization was shown to be due to the control of excitation/energy transfer channel, while the control of luminescence channels played a minor role. Over the whole spectral range, the Raman spectra of LixNa1−xCaLa0.5(MoO4)3 doped with Er3+ and Yb3+ ions were totally superimposed with the luminescence signal of Er3+ ions, and increasing the Li+ content resulted in the difference of Er3+ multiple intensity. The density functional theory calculations with the account for the structural disorder in the system of Li, Na, Ca, La, Er and Yb ions revealed the bandgap variation from 3.99 to 4.137 eV due to the changing of Li content. It was found that the direct electronic transition energy was close to the indirect one for all compounds. The determined chromaticity points (ICP) of the LiNaCaLa(MoO4)3:Er3+,Yb3+ phosphors were in good relation to the equal-energy point in the standard CIE (Commission Internationale de L’Eclairage) coordinates.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Krylova S. N., Popova E. A., Kitaev Yu. E., Lushnikov S. G.
Заглавие : Lattice dynamics of the BaMg1/3Ta2/3O3 complex perovskite
Коллективы : Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина, Ural Federal University, "Materials science and nanotechnology", International conference
Место публикации : Materials Science and Nanotechnology (MSN-2023): abstract book of International conference/ Ural Federal University; org. com. A. N. Vtyurin [et al.]. - Ekaterinburg, 2023. - Ст.O14. - P.54. - ISBN 978-5-9500624-6-9
Примечания : Cited References: 9. - Russian Foundation for Basic Research and DFG project No 21-52-12018
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Bogdanov E. V., Laptash N. M.
Заглавие : The role of chemical pressure in the formation of the structure and barocaloric properties of complex fluorides and oxyfluorides
Колич.характеристики :14 с
Место публикации : Crystallogr. Rep. - 2023. - Vol. 68, Is. 5. - P.765-778. - ISSN 10637745 (ISSN), DOI 10.1134/S1063774523600485. - ISSN 1562689X (eISSN)
Примечания : Cited References: 67
Аннотация: The role of chemical pressure as an effective tool in the processes of formation of initial and distorted (as a result of structural transformations) phases, thermodynamic properties, and direct and inverse barocaloric effects in some complex oxyfluorides and fluorides with octahedral, tetrahedral, and spherical anion and cation groups in the structure has been studied. It is found that, due to the small temperature hysteresis and high baric sensitivity of materials, the maximum values of absolute and integral barocaloric characteristics can be implemented at low pressures. Correspondingly, the temperature range of reversibility of thermodynamic cycles based on fluorides/oxyfluorides as solid-state coolants can be expanded.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Novikova G. V., Tsyplenkova D. I., Kuzubov A. A., Kolenchukova O. A., Samoilo A. S., Vorobyev S. A.
Заглавие : Complex of ceftriaxone with Mg(II): Synthesis, structure, spectral and antibacterial properties
Колич.характеристики :11 с
Место публикации : J. Sib. Fed. Univ. Chem. - 2023. - Vol. 16, Is. 1. - P.5-15. - ISSN 19982836 (ISSN); Журн. СФУ. Химия. - ISSN 23136049 (eISSN)
Примечания : Cited References: 28. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20–43–240007
Аннотация: Magnesium complex of ceftriaxone was obtained and characterized by atomic-emission and elemental analysis, TGA, FTIR and Raman spectroscopy, X-ray diffraction and density functional theory calculations. Ceftriaxone was coordinated to the magnesium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and oxygen atoms of the lactam carbonyl and carboxylate groups. The disodium salt of ceftriaxone and magnesium complex were screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.Получен и охарактеризован магниевый комплекс цефтриаксона методами атомно-эмиссионного и элементного анализов, ТГА, ИК- и КР‑спектроскопии, РФА и расчетов теории функционала плотности. Цефтриаксон координируется к иону магния через кислород триазинового цикла в шестом положении, азот аминогруппы тиазольного цикла и атомы кислорода карбоксильной и лактамной групп. Динатриевая соль цефтриаксона и комплекс магния были исследованы на антибактериальную активность в отношении Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa.
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