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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Antonova A.B., Chudin O.S., Rubaylo A.I., Pavlenko N.I., Sokolenko W.A., Verpekin V.V., Vasiliev A.D., Semeikin O.V.
Заглавие : Heteronuclear µ-vinylidene complexes containing Re, Cu, Fe, Pt, Pd. Synthesis, structure, IR and NMR spectra
Коллективы : Carbene Chemistry Conference The Ocean Maya
Место публикации : Carbene Chemistry Conference The Ocean Maya. - P.38
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Antonova A.B., Chudin O.S., Sokolenko W.A., Rubaylo A.I., Pavlenko N.I., Verpekin V.V., Vasiliev A.D., Semeikin O.V.
Заглавие : Vinylidene carbonylation on the dinuclear MnFe center
Коллективы : Carbene Chemistry Conference The Ocean Maya
Место публикации : Carbene Chemistry Conference The Ocean May. - P.39
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Вишнякова Е. А. , Сайкова С. В. , Жарков, Сергей Михайлович, Лихацкий М. Н. , Михлин Ю. Л.
Заглавие : Определение условий образования наночастиц серебра при восстановлении глюкозой в водных расворах
Место публикации : Журнал Сибирского федерального университета. Серия "Химия". - Т. 2, № 1. - С. 48-55; J. Sib. Fed. Univ. Chem.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grigorchenko V.M., Molokeev M. S., Oreshonkov A. S., Aleksandrovsky A. S., Kertman A.V., Abulkhaev M.U., Mereshchenko A.S., Yurev I.O., Shulaev N.А., Kamaev D.N., Elyshev A.V., Andreev O.V.
Заглавие : Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system
Колич.характеристики :9 с
Место публикации : J. Solid State Chem. - 2024. - Vol. 333. - Ст.124640. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2024.124640. - ISSN 1095726X (eISSN)
Примечания : Cited References: 48. - This research was funded by the Tyumen Oblast Government as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3)The studies ab initio simulation of electron band structure, analysis of optical properties, XRD analysis was partially supported by "Priority-2030" program for the Siberian Federal University, and the state assignment of Kirensky Institute of Physics
Аннотация: The NdF3–Nd2S3 system attracts attention of researchers due to the possibility of using LnSF compounds (Ln = rare earth element) as possible new p- and n-type materials. The samples of this system were synthesized from NdF3 and Nd2S3. The NdSF compound belongs to the PbFCl structural type, P4/nmm space group, unit cell parameters: a = 3.9331(20) Å, c = 6.9081(38) Å. The experimentally determined direct and indirect NdSF bandgaps are equal to 2.68 eV and 2.24 eV. The electronic band structure was calculated via DFT simulation. The NdSF compound melts congruently at T = 1385 ± 10°С, ΔНm = 40.5 ± 10 kJ/mol, ΔS = 24.4 ± 10 J/mol. The NdSF microhardness is 455 ± 10 HV. Five phase transformations in the NdF3–Nd2S3 system were recorded by DSC; their balance equations were derived. The liquidus of the system calculated from the Redlich–Kister equation is fully consistent with the DSC data.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Кенова Т. А., Зосько Н. А., Пятнов, Максим Владимирович, Александровский, Александр Сергеевич, Максимов Н. Г., Жижаев А. М., Таран О. П.
Заглавие : Получение и активация TiO2 фотонно- кристаллических структур для повышения эффективности реакции фотоэлектрохимического разложения воды
Колич.характеристики :12 с
Место публикации : Журн. СФУ. Химия. - 2024. - Т. 17, № 1. - С. 27-38. - ISSN 19982836 (ISSN); J. Sib. Fed. Univ. Chem. - ISSN 23136049 (eISSN)
Примечания : Библиогр.: 25. - Исследование выполнено за счет гранта Российского научного фонда и Красноярского краевого фонда поддержки научной и научно-технической деятельности № 22-22-20078, https://rscf.ru/project/22-22-20078/ с использованием оборудования Красноярского регионального центра коллективного пользования ФИЦ КНЦ СО РАН
Аннотация: Наноструктурированные фотонно-кристаллические пленки TiO2 анодно синтезированы при импульсном и ступенчатом изменениях напряжения. Полученные фотонные структуры активированы методом циклической вольтамперометрии в 0,5M Na2SO4. Фотоэлектрохимическая активность электродов исследована в реакции разложения воды в области длин волн 360–700 нм. Активация приводит к изменению энергии запрещенной зоны, красному сдвигу спектра IPCE и увеличению его значений в исследованном диапазоне длин волн.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.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Eremin L. A., Matsynin A. A., Balashov Yu. Yu., Myagkov V. G., Zhigalov V. S., Bykova L. E., Komogortsev S. V.
Заглавие : The phases formed in Sn/Co thin bilayer upon heating
Колич.характеристики :5 с
Место публикации : J. Solid State Chem. - 2024. - Vol. 334. - Ст.124693. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2024.124693. - ISSN 1095726X (eISSN)
Примечания : Cited References: 33
Аннотация: The structure and phases formed in Sn/Co thin films are interesting both from the solid-state chemistry point of view and due to applications of such a metallic bilayer. The phases forming in thin films Sn/Co obtained by thermal vacuum evaporation on two different substrates SiO2 and MgO(100) at different annealing temperatures have been studied. Annealing above 110°С results in intermetallics formation in the films. The hcp-cobalt is grown in the films on SiO2 substrate, and the fcc-Co is observed on MgO(100) substrate. It is found that the stable α-Co3Sn2 intermetallic is formed at higher annealing temperature in film on MgO(100) substrate. We show that transformations related to mass transfer in the Sn/Co bilayers were up to 500°С and were finished upon reaching the thermodynamically equilibrium phase composition at this temperature.
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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) : Guan M., Hao J., Qiu L., Molokeev M. S., Ning L., Dai Zh., Li G.
Заглавие : Two-dimensional hybrid perovskite with high-sensitivity optical thermometry sensors
Колич.характеристики :8 с
Место публикации : Inorg. Chem. - 2024. - Vol. 63, Is. 8. - P.3835-3842. - ISSN 00201669 (ISSN), DOI 10.1021/acs.inorgchem.3c04140. - ISSN 1520510X (eISSN)
Примечания : Cited References: 37. - This work was supported by the National Natural Science Foundation of China (Grant Nos. 52072349, 52172162, 12374386, and 11974022). Z.D. acknowledges support from the Fundamental Research Funds for the Central Universities, China University of Geosciences (Wuhan) (No.162301202610), the Natural Science Foundation of Guangdong Province (2022A1515012145), and Shenzhen Science and Technology Program(JCYJ20220530162403007). G.L. acknowledges support from the Natural Science Foundation of Zhejiang Province (LR22E020004). M.M. acknowledges the support from the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2023-0006)
Аннотация: Optical thermometry has gained significant attention due to its remarkable sensitivity and noninvasive, rapid response to temperature changes. However, achieving both high absolute and relative temperature sensitivity in two-dimensional perovskites presents a substantial challenge. Here, we propose a novel approach to address this issue by designing and synthesizing a new narrow-band blue light-emitting two-dimensional perovskite named (C8H12NO2)2PbBr4 using a straightforward solution-based method. Under excitation of near-ultraviolet light, (C8H12NO2)2PbBr4 shows an ultranarrow emission band with the full width at half-maximum (FWHM) of only 19 nm. Furthermore, its luminescence property can be efficiently tuned by incorporating energy transfer from host excitons to Mn2+. This energy transfer leads to dual emission, encompassing both blue and orange emissions, with an impressive energy transfer efficiency of 38.3%. Additionally, we investigated the temperature-dependent fluorescence intensity ratio between blue emission of (C8H12NO2)2PbBr4 and orange emission of Mn2+. Remarkably, (C8H12NO2)2PbBr4:Mn2+ exhibited maximum absolute sensitivity and relative sensitivity values of 0.055 K–1 and 3.207% K–1, respectively, within the temperature range of 80–360 K. This work highlights the potential of (C8H12NO2)2PbBr4:Mn2+ as a promising candidate for optical thermometry sensor application. Moreover, our findings provide valuable insights into the design of narrow-band blue light-emitting perovskites, enabling the achievement of single-component dual emission in optical thermometry sensors.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ouyang Sh., Yin J., Su L., Yao M., Wang G., Yang J., Molokeev M. S., Zhou Zh., Zhang S., Xia M.
Заглавие : Highly efficient and thermostable far-red phosphor for promoting root growth in plants
Колич.характеристики :8 с
Место публикации : J. Mater. Chem. C. - 2024. - Vol. 12, Is. 9. - P.3272-3279. - ISSN 20507526 (ISSN), DOI 10.1039/D3TC02823B. - ISSN 20507534 (eISSN)
Примечания : Cited References: 59. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Key R&D Projects in Hunan Province (2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), the Wangcheng Science and Technology Plan (KJ221017), the Science and Technology Innovation Program of Hunan Province (2022WZ1022) and Superior Youth Project of the Science Research Project of Hunan Provincial Department of Education, (22B0211) and the Russian Federation as part of World-class Research Center Program: "Advanced Digital Technologies", contract no. 075-15-2020-935
Аннотация: Phytochrome PFR plays a key role in plant photomorphogenesis, and its perception of far-red light is essential, but how to obtain an efficient far-red phosphor to achieve accurate light filling remains a huge challenge. In this study, Gd1−y−zAl3−x(BO3)4:xCr3+,yLu3+,zSm3+ (GAB:xCr3+,yLu3+,zSm3+) series phosphors were synthesized by a high-temperature solid-state method. By doping Lu3+, the emission intensity of Cr3+ could increase as high as 20%. With the introduction of Sm3+, the emission intensity of Cr3+ was further increased by 29%. Particularly, the emission spectra can be tuned by varying the concentration ratio of Sm3+ and Cr3+, more suitable for the absorption spectrum of PFR. Moreover, the internal quantum yield and external quantum yield of GL0.1AB:0.03Cr3+ and GL0.1AB:0.03Cr3+,0.003Sm3+ were 83.1% and 24.7% and 78.1% and 26.3%, respectively. There were high anti-thermal quenching properties in the prepared phosphors at 423 K, with 107.6% (GAB:0.03Cr3+), 103.1% (GL0.1AB:0.03Cr3+), and 102.7% (GL0.1AB:0.003Sm3+,0.03Cr3+). Finally, the phosphors were made into pc-LED devices, which can realize the adjustable orange-red and far-red luminescence and meet the needs of plant lighting applications. In the light-regulated plant growth experiment, compared with the control group, far-red light promoted root growth in plants, confirming the application potential of the prepared phosphors in indoor plant cultivation.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Oreshonkov A. S., Aleksandrovsky A. S., Chimitova O.D., Pankin D.V., Popov Z.I., Sukhanova E.V., Molokeev M. S., Adichtchev S.V., Pugachev A.M., Nemtsev I. V.
Заглавие : Solid state synthesis, structural, DFT and spectroscopic analysis of EuAl3(BO3)4
Колич.характеристики :10 с
Место публикации : Mater. Chem. Phys. - 2024. - Vol. 320. - Ст.129400. - ISSN 02540584 (ISSN), DOI 10.1016/j.matchemphys.2024.129400. - ISSN 18793312 (eISSN)
Примечания : Cited References: 55. - The work was carried out within the state assignment No FWES-2024-0003 of Kirensky Institute of Physics. This work was partially supported by the state order of BINM SB RAS (0273-2021-0008). The samples for this research were synthesized using equipment of the CCU BINM SB RAS. The reflectance spectrum was obtained at the Center for Optical and Laser Materials Research of Research park of St. Petersburg State University. The SEM measurements were performed at Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS"
Аннотация: 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.
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