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1.
Luminescence of manganese
ions in yttrium aluminium borate / Aleksandrovsky A.S., Gudim I.A., Krylov A.S, Temerov V.E.> // 15th International Conference on Luminescence and Optical
Spectroscopy
of Condensed Matter, Lyon, 2008, p.482
Доп.точки доступа:
Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Gudim, I. A.; Гудим, Ирина, Анатольевна; Krylov, A. S; Temerov, V. E.
}
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2.
Synthesis and study
of superhigh-concentrated organosols of silver nanoparticles / S. A. Vorobyev, M. Yu. Flerko, S. A. Novikova [et al.]> // Colloid J. - 2024. -
Vol. 86
,
Is. 2
. - P. 208-217,
DOI
10.1134/S1061933X23601294. - Cited References: 33. - The work was carried out with the financial support of the basic project FWES-2021-0014 of the Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, and the Federal Program "Priority 2030" using the equipment of the Krasnoyarsk regional center for collective use of the Federal Research Center Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences . - ISSN 1061-933X. - ISSN 1608-3067
Кл.слова (ненормированные):
silver nanoparticles (NPs)
--
concentrated silver organosols
--
phase transfer of nanoparticles
--
X-ray photoelectron
spectroscopy
(XPS)
--
transmission electron microscopy (TEM)
--
conductive silver films
Аннотация:
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.
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Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia
Siberian Federal University, 660041, Krasnoyarsk, Russia
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia
Tomsk National Research State University, 634050, Tomsk, Russia
Доп.точки доступа:
Vorobyev, S. A.; Flerko, M. Yu.; Novikova, S. A.; Mazurova, E. V.; Tomashevich, Ye. V.; Likhatski, M. N.; Saikova, S. V.; Samoilo, A. S.; Zolotovsky, N. A.; Золотовский, Н. А.; Volochaev, M. N.; Волочаев, Михаил Николаевич
}
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3.
Elucidating elusive quaternary
selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies / M. V. Grigoriev, A. V. Ruseikina, M. S. Molokeev [et al.]> // J. Rare Earths. - 2024. -
Vol. 42
,
Is. 1
. - P. 163-171,
DOI
10.1016/j.jre.2022.11.004. - Cited References: 47 . - ISSN 1002-0721. - ISSN 2509-4963
Перевод заглавия:
Расшифровка труднодоступного четвертичного селенида EuCeCuSe3: синтез, кристаллическая структура, свойства и теоретические исследования
Кл.слова (ненормированные):
Quaternary selenide
--
Synthesis
--
Crystal structure
--
Ab initio calculations
--
Magnetic measurements
--
Spectroscopy
Аннотация:
We report on the novel heterometallic quaternary selenide EuCeCuSe3, the fabrication of which has been a challenge until this work. The structure of the reported selenide was elucidated from the powder X-ray diffraction data, which revealed the formation of EuCeCuSe3 with excellent yield (96.7%) accompanied with a minor fraction of CeSe2 (3.3%), and was best solved in orthorhombic space group Pnma with the BaLaCuS3 structural type. Thus, the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3 (RE = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y), of which the cerium-based derivative exclusively belongs to the BaLaCuS3 structural type. The distortion of the CuSe4 polyhedron was compared for the whole series of EuRECuSe3 compounds using the τ4-descriptor for four coordinated ions, which revealed the highest degree of distortion for the Ce3+-containing selenide, followed by the La3+-based derivative. Furthermore, the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3 and EuCeCuS3. Ab initio calculations of the crystal structure, a phonon spectrum and elastic constants for the crystal of EuСeCuSe3 were also performed. The types and wavenumbers of fundamental modes were determined and the involvement of ions participating in the phonon modes was assessed. The experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated spectrum. The experimental direct band gap of EuCeCuSe3 was measured to be 1.36 eV that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f (valence band) and 5d (conduction band) levels of the Eu2+ cation. The dependence of the Young's modulus on the direction demonstrates the anisotropy of the elastic properties, while the Vickers hardness for EuCeCuSe3 was calculated to be 5.2 GPa. Finally, the title compound is paramagnetic above 4 K.
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Держатели документа:
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation
Research and Development Department, Kemerovo State University, Krasnaya Str. 6, 650000, Kemerovo, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 Bld. 38, 660036, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, 680021, Krasnoyarsk, Russian Federation
Institute of Natural Sciences and Mathematics, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Svobodnii Ave. 79, 660079, Krasnoyarsk, Russian Federation
Institute of Physics and Technology, University of Tyumen, Volodarskogo Str. 6, 625003 Tyumen, Russian Federation
Institute for Inorganic Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569, Stuttgart, Germany
Advanced Materials for Industry and Biomedicine Laboratory, Kurgan State University, Sovetskaya Str. 63/4, 640020, Kurgan, Russian Federation
Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation
Доп.точки доступа:
Grigoriev, Maxim V.; Ruseikina, Anna V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chernyshev, Vladimir А.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Shestakov, N. P.; Шестаков, Николай Петрович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Garmonov, Alexander A.; Matigorov, Alexey V.; Ostapchuk, Evgeny A.; Schleid, Thomas; Safin, Damir A.
}
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4.
Temperature Raman study
of Li4Ti5O12 and ambiguity in the number of its bands / A. A. Nikiforov, A. S. Krylov, S. N. Krylova [et al.]> // J. Raman Spectrosc. - 2024. -
Vol. 55
,
Is. 3
. - P. 406-415,
DOI
10.1002/jrs.6641. - Cited References: 51. - The research was funded by the Russian Science Foundation (project No 22-22-00350, https://rscf.ru/project/22-22-00350) . - ISSN 0377-0486. - ISSN 1097-4555
Кл.слова (ненормированные):
defects
--
distortions
--
lithium titanate
--
lithium titanium oxide
--
spinel structure
Аннотация:
The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman
spectroscopy
. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F2g band shifts to estimate the sample heating.
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Держатели документа:
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, Russia
L.V. Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russia
Independent Researcher, Ekaterinburg, Russia
Доп.точки доступа:
Nikiforov, A. A.; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gorshkov, V. S.; Pelegov, D. V.
}
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5.
Effects of endohedral
Gd-containing fullerenols with a different number of oxygen substituents on bacterial bioluminescence / E. A. Stepin, E. S. Sushko, N. G. Vnukova [et al.]> // Int. J. Mol. Sci. - 2024. -
Vol. 25
,
Is. 2
. - Ст. 708,
DOI
10.3390/ijms25020708. - Cited References: 102. - This research was funded by the State Assignment of the Ministry of Science and Higher Education of the Russian Federation, project No. 0287-2021-0020, and partly supported by the Russian Science Foundation No. 23-26-10018, Krasnoyarsk Regional Science Foundation . - ISSN 1661-6596. - ISSN 1422-0067
Перевод заглавия:
Влияние эндоэдральных Gd-содержащих фуллеренолов с различным числом кислородных заместителей на биолюминесценцию бактерий
Кл.слова (ненормированные):
endohedral fullerenol
--
gadolinium
--
bioluminescence
--
bacterial bioassay
--
toxicity
--
enzymatic bioassay
--
reactive oxygen species
--
density functional tight binding method
--
fourier-transform infrared
spectroscopy
Аннотация:
Gadolinium (Gd)-containing fullerenols are perspective agents for magnetic resonance imaging and cancer research. They combine the unique paramagnetic properties of Gd with solubility in water, low toxicity and antiradical activity of fullerenols. We compared the bioeffects of two Gd-containing fullerenols with a different number of oxygen groups—20 and 42: Gd@C82O20H14 and Gd@C82O42H32. The bioluminescent bacteria-based assay was applied to monitor the toxicity of fullerenols, bioluminescence was applied as a signal physiological parameter, and bacterial enzyme-based assay was used to evaluate the fullerenol effects on enzymatic intracellular processes. Chemiluminescence luminol assay was applied to monitor the content of reactive oxygen species (ROS) in bacterial and enzymatic media. It was shown that Gd@C82O42H32 and Gd@C82O20H14 inhibited bacterial bioluminescence at >10?1 and >10?2 gL?1, respectively, revealing a lower toxicity of Gd@C82O42H32. Low-concentration (10?3–10?1 gL?1) bacterial bioluminescence activation by Gd@C82O42H32 was observed, while this activation was not found under exposure to Gd@C82O20H14. Additional carboxyl groups in the structure of Gd@C82O42H32 were determined by infrared
spectroscopy
and confirmed by quantum chemical calculations. The groups were supposed to endow Gd@C82O42H32 with higher penetration ability through the cellular membrane, activation ability, lower toxicity, balancing of the ROS content in the bacterial suspensions, and lower aggregation in aqueous media.
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Держатели документа:
Biophysics Department, School of Fundamental Biology and Biotechnology, Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Biophysics SB RAS, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Physics SB RAS, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia
Department of Solid State Physics and Nanotechnology, School of Engineering Physics and Radioelectronics, Siberian Federal University, 660074 Krasnoyarsk, Russia
Department of Physical and Inorganic Chemistry, School of Non-Ferrous Metals and Materials Science, Siberian Federal University, 660025 Krasnoyarsk, Russia
Laboratory for Digital Controlled Drugs and Theranostics, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia
Доп.точки доступа:
Stepin, E. A.; Sushko, E. S.; Сушко, Екатерина Сергеевна; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Rogova, A. V.; Tomilin, F. N.; Томилин, Феликс Николаевич; Kudryasheva, N. S.
}
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6.
Modification of synthetic
valleriite surface with gold nanoparticles: The roles of specific adsorption and zeta potential / A. A. Karacharov, M. N. Likhatski, R. V. Borisov [et al.]> // Colloid J. - 2024. -
Vol. 86
,
Is. 1
. - P. 40-51,
DOI
10.1134/S1061933X23601075. - Cited References: 69. - This work was supported by the Russian Science Foundation project no. 22-13-00321 . - ISSN 1061-933X. - ISSN 1608-3067
Кл.слова (ненормированные):
synthetic valleriites
--
gold nanoparticles
--
X-ray photoelectron
spectroscopy
--
transmission electron microscopy
--
zeta potential
Аннотация:
Layered two-dimensional materials, whose properties dramatically differ from their bulk precursors, are of great theoretical and applied importance. Recently, a layered 2D material, an analog of a natural mineral, valleriite, in which quasi-monoatomic Cu−Fe−S sheets alternate with brucite-like ones, has been prepared using a simple hydrothermal synthesis procedure. The features of the electronic structure of these materials make it possible to propose them as new materials for a wide field of applications such as (electro)photocatalysis, high-capacity batteries, etc. In this work, nanocomposite materials have been prepared via immobilization of gold nanoparticles (AuNPs) from citrate hydrosols on the surface of the synthesized valleriites having different compositions of hydroxide layers, which control the surface charge density. According to X-ray photoelectron
spectroscopy
(XPS), transmission electron microscopy (TEM), energy-dispersive X-ray microanalysis (EDX), and selected area electron diffraction (SAED) data, AuNPs are immobilized on valleriite nanoflakes, which have lateral sizes of 150–200 nm and thicknesses of several tens of nanometers, as isolated metal nanoparticles with an average diameter of 11 nm. A small amount of aggregates indicates a high affinity of AuNPs for the valleriite surface. The amounts of immobilized gold are the same on all studied valleriites (~0.2%). This finding may be related to the simultaneous sorption of free citrate ions from the AuNP hydrosols, with these ions, according to zeta potential measurements, charging the surfaces of all studied valleriite samples to nearly the same negative value of –40 mV. According to the XPS data, the AuNPs immobilization markedly decreases the magnesium and oxygen contents on the surfaces of the synthesized valleriites due to the partial degradation/dissolution of the brucite layer. In addition, the amount of Fe3+ ions bound to OH groups decreases with a simultaneous increase in the fraction of Fe3+–O species. The TEM data have confirmed the preservation of the layered structure of valleriites after the immobilization of AuNPs.
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Публикация на русском языке
Модификация поверхности синтетического валлериита наночастицами золота: роль специфической адсорбции и дзета-потенциала [Текст] / А. А. Карачаров, М. Н. Лихацкий, Р. В. Борисов [и др.]. - 13 с. // Коллоид. журн. - 2024. - Т. 86 № 1. - С. 45-57
Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Federal Research Center “Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences”, 660036, Akademgorodok, Krasnoyarsk, Russia
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Federal Research Center “Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences”, 660036, Akademgorodok, Krasnoyarsk, Russia
Siberian Federal University, 660041, Krasnoyarsk, Russia
Доп.точки доступа:
Karacharov, A. A.; Likhatski, M. N.; Borisov, R. V.; Tomashevich, E. V.; Vorobyev, S. A.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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7.
Raman
spectroscopy
of
Wadsley phases of vanadium oxide / P. Shvets, A. Krylov, K. Maksimova, A. Goikhman> // J. Raman Spectrosc. - 2024. -
Vol. 55
,
Is. 4
. - P. 445-458,
DOI
10.1002/jrs.6644. - Cited References: 133. - This work was prepared with support from the Ministry of Science and Higher Education of the Russian Federation (project FZWM-2020-0008) . - ISSN 0377-0486. - ISSN 1097-4555
Кл.слова (ненормированные):
phase transitions
--
V3O7
--
V4O9
--
V6O13
--
VO2 (B)
Аннотация:
We summarize the current knowledge on crystal structures, synthesis, applications, and Raman
spectroscopy
of Wadsley phases of vanadium oxide, including VO2 (B), V6O13, V4O9, V3O7, and V2O5. While these oxides have garnered significant attention for potential energy storage applications and have been studied for decades, there remains inconsistency in data regarding their characteristic Raman spectra. To address this, we synthesized a series of Wadsley phases by physical vapor deposition of amorphous vanadium oxide films and subsequent annealing in a controlled environment. X-ray diffraction studies confirmed the formation of VO2 (B), V6O13, V4O9, and V3O7. We meticulously measured the room-temperature Raman spectra of these phases, offering robust reference data for the easy identification of vanadium oxides in unknown samples. Finally, we studied low-temperature phase transitions in VO2 (B) and V6O13.
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Держатели документа:
Research and Educational Center “Functional Nanomaterials”, Immanuel Kant Baltic Federal University, Kaliningrad, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Shvets, P.; Krylov, A. S.; Крылов, Александр Сергеевич; Maksimova, K.; Goikhman, A.
}
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8.
Оптические свойства, структурная
однородность и дефектные центры монокристаллов двойного легирования LiNbO3:Zn:Mg, полученных по разным технологиям / Р. А. Титов, М. В. Смирнов, Л. А. Бобрева [и др.]> // Перспективн. материалы. - 2024. -
№ 8
. - С. 5-22,
DOI
10.30791/1028-978X-2024-8-5-22. - Библиогр.: 60. - Работа выполнена при частичной финансовой поддержке правительства Мурманской области научно-исследовательских проектов молодых учёных (№ 201 от 27 ноября 2023 г.) и в рамках государственного задания Министерства науки и высшего образования РФ (регистрационный номер FMEZ-2022-0016) . - ISSN 1028-978X
Перевод заглавия:
Optical properties, structural homogeneity and defect centers of double-doped LiNbO3:Zn:Mg single crystals obtained using different technologies
Кл.слова (ненормированные):
кристалл ниобата лития
--
двойное легирование
--
OH-группы
--
центры люминесценции
--
точечные и комплексные дефекты
--
спектроскопия КРС
--
лазерная коноскопия
--
фотоиндуцированное рассеяние света
--
lithium niobate crystal
--
double doping
--
OH groups
--
luminescence centers
--
point and complex defects
--
Raman
spectroscopy
--
laser conoscopy
--
photoinduced light scattering
Аннотация:
Методами спектроскопии комбинационного рассеяния света, инфракрасной спектроскопии поглощения, фотолюминесценции, лазерной коноскопии и фотоиндуцированного рассеяния света исследованы особенности дефектной структуры номинально чистого кристалла LiNbO3стех и монокристаллов двойного легирования LiNbO3:Zn:Mg (3,45:1,41 мол. %) и LiNbO3:Zn:Mg (3,45:1,22 мол. %), полученных по технологии гомогенного и прямого легирования. Кристаллы двойного легирования LiNbO3:Zn:Mg, полученные по разным технологиям, обладают высоким сопротивлением повреждению лазерным излучением. Кристалл LiNbO3:Zn:Mg (3,45:1,22 мол. %), полученный по технологии прямого легирования, характеризуется более низкой композиционной однородностью по сравнению с кристаллом LiNbO3:Zn:Mg (3,45:1,41 мол. %), полученным по технологии гомогенного легирования. По спектрам комбинационного рассеяния света обнаружено, что особенности дефектной структуры кристаллов двойного легирования LiNbO3:Zn:Mg в большей степени определяет примесь магния. Обнаруженный факт может быть причиной преобладания влияния упорядочивающего механизма катионов магния (~ 1,22 – 1,44 мол. %) над влиянием разупорядочивающего механизма катионов цинка (~ 3,45 мол. %) на особенности структурных единиц катионной подрешетки. Наименьшее значение концентрации ОН-групп и интенсивности фотолюминесценции в ближней ИК области характерно для кристалла LiNbO3:Zn:Mg (3,45:1,41 мол. %), полученного по технологии гомогенного легирования.
Features of the defect structure of a nominally pure LiNbO3stoich crystal and doubly doped LiNbO3:Zn:Mg (3.45:1.41 mol. %) and LiNbO3:Zn:Mg (3.45:1.22 mol. %) single crystals have been studied using Raman
spectroscopy
, infrared absorption
spectroscopy
, photoluminescence, laser conoscopy and photoinduced light scattering. The material for the study has been obtained using homogeneous and direct doping technology. It has been shown that double-doped LiNbO3:Zn:Mg crystals obtained using different technologies have high resistance to damage by laser radiation. However, the LiNbO3:Zn:Mg (3.45:1.22 mol. %) crystal obtained using direct doping technology is characterized by lower compositional uniformity compared to the LiNbO3:Zn:Mg (3.45:1.41 mol. %) crystal obtained using homogeneous doping technology. Raman spectra have showed that the features of the defect structure of double-doped LiNbO3:Zn:Mg crystals are largely determined by the magnesium impurity. This may be the reason that the influence of the ordering mechanism of magnesium cations (~ 1.22 – 1.44 mol. %) prevails over the influence of the disordering mechanism of zinc cations (~ 3.45 mol. %) on the features of the structural units of the cation sublattice. It has been found that the lowest concentration of OH groups and photoluminescence intensity in the near-IR region is characteristic of the LiNbO3:Zn:Mg (3.45:1.41 mol. %) crystal obtained using homogeneous doping technology.
Держатели документа:
Институт химии и технологии редких элементов и минерального сырья им. И.В. Тананаева — обособленное подразделение федерального государственного бюджетного учреждения науки Федерального исследовательского центра “Кольский научный центр Российской академии наук” (184209 Апатиты, Мурманская обл., ул. Академгородок, 26а)
Институт физики им. Л.В. Киренского Сибирского отделения Российской академии наук — обособленное подразделение Федерального государственного бюджетного научного учреждения “Федеральный исследовательский центр “Красноярский научный центр Сибирского отделения Российской академии наук” (660036 Красноярск, ул. Академгородок, 50, стр. 38)
Доп.точки доступа:
Титов, Р. А.; Смирнов, М. В.; Бобрева, Л. А.; Теплякова, Н. А.; Палатников, М. Н.; Бирюкова, И. В.; Маслобоева, С. М.; Крылов, Александр Сергеевич; Krylov, A. S.; Втюрин, Александр Николаевич; Vtyurin, A. N.; Сидоров, Н. В.
}
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9.
Raman study of
decomposition of Na-bearing carbonates in water fluid at high P–T parameters / S. Goryainov, A. Krylov, U. Borodina [et al.]> // Spectrochim. Acta - A: Mol. Biomol. Spectrosc. - 2024. -
Vol. 322
. - Ст. 124801,
DOI
10.1016/j.saa.2024.124801. - Cited References: 74. - Authors thank V.S. Shevchenko, A.F. Shatskiy, A.G. Sokol and A.V. Golovin for fruitful discussion. We acknowledge I.N. Kupriyanov for discussion and measurements of FTIR spectra of the samples. This work was carried out within the framework of the Russian Federation state assignment of the Sobolev Institute of Geology and Mineralogy SB RAS (state registration number: 122041400176-0) and A.K., S.K and A.V. thanks for support the Russian Federation state assignment of Kirensky Institute of Physics, Federal Research Center KSC SB RAS (state registration number: FWES-2024-0003). Work partially supported by the Russian Foundation for Basic Researches (RFBR-21-55-14001 ANF a grant). Equipment and devices of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” were used for Raman experiments at high P–T conditions . - ISSN 1386-1425. - ISSN 1873-3557
Кл.слова (ненормированные):
Raman
spectroscopy
--
Carbonates
--
High pressure
--
High temperature
--
Abiogenic formation of organics
--
Organic formates
--
Organic molecular crystals
Аннотация:
The study of Na-carbonates stability and their transformations in aqueous carbonate fluid under high P–T conditions is relevant from the point of view of the understanding geochemical processes of the Na-assisted carbon circulation in the Earth’s crust and subduction zones. In situ Raman study of Na-bearing carbonate-water-Fe-metal system in diamond anvil cell (DAC) at high P–T conditions revealed that carbonates decompose with abiogenic formation of formates and other organic compounds that differs from behavior of carbonates in dry system. XRD and FTIR methods have been used additionaly to determine the phase composition. Na-bearing carbonates (nahcolite NaHCO3, shortite Na2Ca2(CO3)3 and cancrinite Na7Ca[(CO3)1.5Al6Si6O24]·2H2O) in aqueous fluid decompose to form simple carbonates and formates (as dominant organic molecules) at moderate P–T parameters (above ∼0.2 GPa, 200°C). Our experimental results directly confirm the hypothesis of Horita and Berndt (Science, 1999) about possible yield of organic formates in the carbonate-water-metal system. Nahcolite NaHCO3 in aqueous fluid in the presence of Fe metal decomposes into anhydrous phases: natrite γ-Na2CO3, siderite, magnetite (due to dissolution of Fe steel gasket), Na-formate and likely organic molecular crystalline solvate of Na-formate and methyl formate. Shortite decays into anhydrous phases: aragonite CaCO3, Na-Ca-formates and an amorphous phase. Cancrinite decomposes to unidentified carbonate-alumonosilicate phases, Na-Ca-formates and unknown organic molecular crystal. Magnetite is also formed in this system due to dissolution of Fe steel gasket used in DAC. The present study provides a new insight in processes of abiogenic formation of organic matter from carbonates in the crust and upper mantle.
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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prospect Acad. Koptyug 3, Novosibirsk, 630090, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, 50, bld. 38, Krasnoyarsk, 660036, Russia
Доп.точки доступа:
Goryainov, S.; Krylov, A. S.; Крылов, Александр Сергеевич; Borodina, U.; Likhacheva, A.; Krylova, S. N.; Крылова, Светлана Николаевна; Seryotkin, Yu.; Bogdanov, N.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Grishina, S.
}
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10.
Soldatenko, A. S.
N-silylmethyl-2-(1-naphthyl)acetamides: Synthesis, structure and computational screening / A. S. Soldatenko, M. S. Molokeev, N. F. Lazareva> // Curr. Org. Chem. - 2024. -
Vol. 28
,
Is. 12
. - P. 959-966,
DOI
10.2174/0113852728296495240409062733. - Cited References: 75. - This work was supported by the Russian Science Foundation using the analytical equipment of the Baikal Center for Collective Use of the SB RAS and the analytical equipment of the Krasnoyarsk Center for Collective Use of SB RAS. M.S. Molokeev’s work was carried out within the framework of the Strategic Academic Leadership Program "Priority-2030" for the Siberian Federal University . - ISSN 1385-2728. - ISSN 1875-5348
Перевод заглавия:
N-силилметил-2-(1-нафтил)ацетамиды: синтез, структура и вычислительный скрининг
Кл.слова (ненормированные):
N-organyl-2-(1-naphthyl)-N-(silylmethyl)acetamides
--
NMR
spectroscopy
--
X-ray diffraction analysis
--
computational screening
--
PASS
--
ADME
Аннотация:
Synthesis of new hybrid organosilicon compounds based on the amides 1- naphthylacetic acid was described. N-Organyl-2-(1-naphthyl)-N-[(triethoxysilyl)methyl]- acetamides were obtained by the reaction of 1-naphthylacetyl chloride with α-silylamines RNHCH2Si(OEt)3 (R = Me, i-Pr and Ph). Their subsequent interaction with N(CH2CH2OH)3 led to the formation of N-organyl-2-(1-naphthyl)-N-(silatranylmethyl)acetamides. The structure of these hybrid compounds was characterized by 1H, 13C, and 29Si NMR
spectroscopy
. The structure of N-methyl- and N-isopropyl-2-(1-naphthyl)-N-(silatranylmethy)acetamides was confirmed by X-ray diffraction analysis. Results of computational screening showed that these silatranes are bioavailable and have drug-likeness.
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Держатели документа:
Siberian Division of the Russian Academy of Sciences, A.E. Favorsky Irkutsk Institute of Chemistry, 1 Favorsky Street, Irkutsk 664033, Russia
Laboratory of Crystal Physics, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk 660036, Russia
Institute of Engineering Physics and Radio Electronic, Siberian Federal University, Krasnoyarsk 660041, Russia
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lazareva, N. F.
}
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11.
Unraveling dynamic Jahn-Teller
effect and magnetism in FeTiF6×6H2O single crystal / M. S. Platunov, N. A. Fedorova, Yu. V. Pyastolova [et al.]> // J. Alloys Compd. - 2024. -
Vol. 999
. - Ст. 175104,
DOI
10.1016/j.jallcom.2024.175104. - Cited References: 51. - The authors thank the Joint Supercomputer Center (JSCC) of the Russian Academy of Sciences. The authors would like to express their sincere gratitude to the ID12 beamline staff their exceptional dedication and professionalism in performing the synchrotron experiment during the challenging circumstances of the COVID-pandemic. We are particularly grateful to the postdocs, scientists, and technicians who took part in the experiment, ensuring its successful completion. We also gratefully acknowledge the provision of beamtime (Proposal HC-4375) by the European Synchrotron Radiation Facility (ESRF). The access to this world-class facility was instrumental in obtaining the high-quality data that formed the basis of our research. We are deeply appreciative of the contributions of all involved, and we extend our heartfelt thanks to each and every one of them . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Dynamic Jahn-Teller effect
--
Density functional theory
--
B3LYP
--
Magnetic and electronic properties
--
Mossbauer
spectroscopy
--
XMCD
--
XANES
Аннотация:
Hydrated iron fluoridotitanate (FeTiF6 × 6 H2O) single crystals are fascinating magnetic materials with unique properties. To understand the underlying mechanisms, this study combines X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) techniques, complemented by density functional theory (DFT) calculations. Polarization-dependent X-ray absorption
spectroscopy
, encompassing XANES and XMCD, is a powerful technique for probing the local structures and magnetic properties of materials. It is element-selective, bulk-sensitive, and compatible with a wide range of experimental conditions. In this study, we used XANES and XMCD spectroscopies to investigate the local structures and magnetic properties of Fe and Ti in FeTiF6 × 6 H2O single crystals. XANES analysis revealed distinct local environments around Fe and Ti, providing insights into their coordination environments. Element-selective magnetization measurement at the Fe K-edge demonstrated that iron sites in the oxidation state Fe2+ have an unambiguous paramagnetic contribution to the magnetization along the b-axis. Notably, the absence of an XMCD signal at the Ti K-edge confirmed the absence of a magnetic moment in Ti atoms within the crystal. DFT calculations corroborate the experimental findings and provide insights into the electronic structure and magnetic interactions. The combined results provide a comprehensive understanding of the dynamic Jahn-Teller effect in FeTiF6 × 6 H2O single crystals, highlighting the significance of polarization-dependent X-ray absorption
spectroscopy
in unraveling the intricate magnetic behavior of such materials. This study contributes to the fundamental understanding of magnetism in these materials and paves the way for the development of novel magnetic materials with tailored properties.
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Держатели документа:
Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis SB RAS, Kol’tsovo 630559 , Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok 690022, Russia
Доп.точки доступа:
Platunov, M. S.; Платунов, Михаил Сергеевич; Fedorova, N. A.; Федорова, Наталья А.; Pyastolova, Yu. V.; Пястолова, Юлия Валентиновна; Laptash, N. M.; Knyazev, Yu. V.; Князев, Юрий Владимирович; Tomilin, F. N.; Томилин, Феликс Николаевич; Dubrovskiy, A. A.; Дубровский, Андрей Александрович
}
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12.
Строение, оптические и
спектральные характеристики эпикутикулярного воска хвои ели голубой / Е. Р. Буханов, А. Д. Шефер, А. В. Шабанов [и др.]> // Сибирский лесной журнал. - 2024. -
№ 1
. - С. 97-106,
DOI
10.15372/SJFS20240111. - Библиогр.: 33 . - ISSN 2311-1410. - ISSN 2312-2099
Перевод заглавия:
Structure, optical and spectral characteristics of epicuticular wax of blue spruce needles
Кл.слова (ненормированные):
фотонный кристалл
--
электронная микроскопия
--
оптическая микроскопия
--
флуоресцентная спектроскопия
--
численное моделирование одномерных фотонных кристаллов
--
Picea pungens Engelm
--
photonic crystal
--
electron microscopy
--
optical microscopy
--
fluorescence
spectroscopy
--
numerical modeling of one-dimensional photonic crystals
--
Picea pungens Engelm
Аннотация:
Предложен метод по отделению чистых пластин эпикутикулярного воска. Использование воды, способной глубоко проникать в восковые структуры под действием сил Ван-дер-Ваальса и расширяться при замерзании, позволяет быстро получить незагрязненные восковые пластины с нативной структурой без каких-либо сторонних химических примесей. С помощью сканирующей электронной микроскопии были получены снимки воска хвои голубой ели (Picea pungens Engelm.). Определены его морфологические и структурные характеристики. Отличительной особенностью является наличие восковых нанотрубочек с характерными диаметром ~150 нм и длиной 3–5 мкм. Нанотрубочки лежат друг на друге стопками, образуя одномерную длиннопериодическую решетку. Проведены микроскопические наблюдения воска, сделанные в отраженном и прошедшем свете. Показано, что покрытие хвои голубой ели состоит из микрочастичек воска, обладающие структурным окрасом. В широком спектральном диапазоне отдельные частички изменяют цвет от синего до красного, как следствие, большие конгломераты частичек имеют белый цвет. Получены спектры флуоресценции хвои с нативным восковым покровом и той же самой хвои после удаления воска. При сравнении ширины линий флуоресценции на полувысоте хвоинки голубой ели с воском и без, выявлено влияние воскового слоя на время жизни возбужденных электронов в фотосистеме II, тем самым установлена связь между восковым покровом и процессом фотосинтеза. Методом трансфер матриц выполнены расчеты спектров пропускания для решетки схожей с восковой структурой, хлоропластом и сочетанием восковой структуры с хлоропластом. В последнем варианте длинноволновая зона селективного отражения значительно шире, чем у отдельных случаев. При рассмотрении структуры, содержащей хлоропласт и эпикутикулярный воск, наблюдается небольшое расщепление стоп-зоны, как при наличии дефекта, что способствует высокой концентрации энергии в месте расщепления. Вследствии роста концентрации энергии увеличивается плотность фотонных состояний на соответствующих длинах волн. Этот эффект важен для фотосинтеза, поскольку согласно золотому правилу Ферми, скорость реакции пропорциональна плотности фотонных состояний. Результаты расчетов находятся в хорошем согласии с экспериментальными спектрами.
A method for separating clean plates of epicuticular wax has been proposed. The use of water, which can penetrate deeply into wax structures under the influence of van der Waals forces and expand upon freezing, allows to quickly obtain uncontaminated wax plates with a native structure without any third-party chemical impurities. Using scanning electron microscopy, images of blue spruce ( Picea pungens Engelm.) needle wax were obtained. Its morphological and structural characteristics have been determined. A distinctive feature is the presence of wax nanotubules with a characteristic diameter of ~150 nm and a length of 3-5 μm. Nanotubes lie on top of each other in stacks, forming a one-dimensional long-period lattice. Microscopic observations of the wax were made in reflected and transmitted light. It has been shown that the coating of blue spruce needles consists of microparticles of wax with a structural color. In a wide spectral range, individual particles change color from blue to red, as a result, large conglomerates of particles are white. Fluorescence spectra of needles with native wax cover and the same needles after wax removal were obtained. When comparing the width of fluorescence lines at half-height of blue spruce needles with and without wax, the influence of the wax layer on the lifetime of excited electrons in photosystem II was revealed, thereby establishing a connection between the wax cover and the process of photosynthesis. Using the matrix transfer method, transmission spectra were calculated for a lattice similar to a waxy structure, a chloroplast, and a combination of a waxy structure with a chloroplast. In the latter version, the long-wave zone of selective reflection is much wider than in individual cases. When examining a structure containing a chloroplast and epicuticular wax, there is a slight splitting of the stop zone, as if there were a defect, which contributes to a high concentration of energy at the site of splitting. Due to an increase in energy concentration, the density of photonic states at the corresponding wavelengths increases. This effect is important for photosynthesis because, according to Fermi’s golden rule, the rate of reaction is proportional to the density of photonic states. The calculation results are in good agreement with the experimental spectra.
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РИНЦ
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Держатели документа:
Институт физики им. Л. В. Киренского СО РАН – обособленное подразделение ФИЦ КНЦ СО РАН, 660036, Красноярск, Академгородок, 50/38
Федеральный исследовательский центр «Красноярский научный центр СО РАН», 660036, Красноярск, Академгородок, 50
Доп.точки доступа:
Буханов, Евгений Романович; Bukhanov, E. R.; Шефер, А. Д.; Шабанов, Александр Васильевич; Shabanov, A. V.; Гуревич, Ю. Л.; Крахалев, Михаил Николаевич; Krakhalev, M. N.
}
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13.
Synthesis, structure and
magnetic properties of monoclinic lanthanum-chromium borate LaCr3(BO3)4 / E. A. Volkova, M. S. Platunov, A. M. Antipin [et al.]> // J. Alloys Compd. - 2024. -
Vol. 994
. - Ст. 174683,
DOI
10.1016/j.jallcom.2024.174683. - Cited References: 38. - Single crystal X-ray analysis was carried out within the State assignment NRC "Kurchatov institute" (research contribution of A.M.A.). The research contribution of M.S.P. was partially supported by the Ministry of Science and Higher Education of the Russian Federation within the governmental assignment for Synchrotron radiation facility "SKIF", Boreskov Institute of Catalysis (project FWUR-2024–0040) . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Borates
--
Flux growth
--
Crystal structure
--
Differential scanning calorimetry
--
Powder X-ray diffraction
--
IR
spectroscopy
--
Antiferromagnet
Аннотация:
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.
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Держатели документа:
Faculty of Geology, Lomonosov Moscow State University, Moscow, Russian Federation
Synchrotron radiation facility SKIF, Boreskov Institute of Catalysis SB RAS, Kol’tsovo, Russian Federation
Shubnikov Institute of Crystallography, Complex "Crystallography and Photonics", NRC "Kurchatov institute", Moscow, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, Russian Federation
Melnikov Research Institute of Comprehensive Exploitation of Mineral Resources of the Russian Academy of Sciences, Moscow, Russian Federation
Доп.точки доступа:
Volkova, E. A.; Platunov, M. S.; Платунов, Михаил Сергеевич; Antipin, A. M.; Alpanova, R. R.; Dubrovskiy, A. A.; Дубровский, Андрей Александрович; Pyastolova, Yu. V.; Пястолова, Юлия Валентиновна; Podobraznyh, A. D.; Kosorukov, V. L.; Koporulina, E. V.; Maltsev, V. V.
}
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14.
First-principles calculations to
investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm) / V. A. Chernyshev, A. V. Ruseikina, M. V. Grigoriev [et al.]> // Inorg. Chem. Commun. - 2024. -
Vol. 165
. - Ст. 112449,
DOI
10.1016/j.inoche.2024.112449. - Cited References: 43. - This work was supported by The Ministry of Science and Higher Education of the Russian Federation (project No. FEUZ-2023-0017) . - ISSN 1387-7003. - ISSN 1879-0259
Кл.слова (ненормированные):
Rare-earth elements
--
Quaternary sulfide
--
Optical properties
--
Ab initio calculations
--
Spectroscopy
Аннотация:
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.
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Держатели документа:
Institute of Natural Sciences and Mathematics, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg 620002, Russian Federation
University of Tyumen, Tyumen 625003, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russian Federation
Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg 620002, Russian Federation
Доп.точки доступа:
Chernyshev, V. A.; Ruseikina, A. V.; Grigoriev, M. V.; Krylova, S. N.; Крылова, Светлана Николаевна; Safin, D. A.
}
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15.
Anomalies in the
magnetic properties of bismuth-substituted diluted yttrium iron garnet / S. S. Aplesnin, F. V. Zelenov, S. V. Semenov, O. A. Bayukov> // J. Magn. Magn. Mater. - 2023. -
Vol. 582
. - Ст. 171030,
DOI
10.1016/j.jmmm.2023.171030. - Cited References: 61. - The authors are grateful to T. N. Tarasenko for providing samples for magnetic measurements . - ISSN 0304-8853. - ISSN 1873-4766
Кл.слова (ненормированные):
Magnetic properties
--
Compensation temperature
--
Mossbauer
spectroscopy
Аннотация:
The magnetic properties and Mossbauer spectra of the Y1.8Bi1.2Fe3.5Ga1.5O12 compound were investigated. A linear temperature dependence of the saturation magnetization, hysteresis, and stability of the coercive field in the magnetically ordered state were found. Using the Mossbauer measurements, the distribution of iron ions over octahedral and tetrahedral sites and the concentration of paramagnetic iron ions were determined. Two critical temperatures – the sublattice magnetization compensation temperature and the ferrimagnet–paramagnet transition temperature – were established. The disappear of the phonon mode in the vicinity of the magnetic transition was observed. The experimental data have been interpreted in terms of the spin–lattice interaction model.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, 50, Krasnoyarsk 660036, Russia
Reshetnev Siberian State University of Science and Technology, Krasnoyarsky Rabochy Av., 31, Krasnoyarsk 660014, Krasnoyarsk, Russia
Siberian Federal University, Svobodny pr. 79, Krasnoyarsk 660041, Russia
Доп.точки доступа:
Aplesnin, S. S.; Аплеснин, Сергей Степанович; Zelenov, F. V.; Semenov, S. V.; Семёнов, Сергей Васильевич; Bayukov, O. A.; Баюков, Олег Артемьевич
}
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16.
Synthesis and characterization
of a new magnesium molybdates Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) with a langbeinite type structure / V. G. Grossman, M. S. Molokeev, B. G. Bazarov, J. G. Bazarova> // Solid State Sci. - 2023. -
Vol. 142
. - Ст. 107249,
DOI
10.1016/j.solidstatesciences.2023.107249. - Cited References: 39. - This work was supported by the state order of BINM SB RAS (0273-2021-0008). Research was conducted using equipment of the CCU BINM SB RAS. Some experiments were obtained with use the analytical equipment of analytical equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”. M.S. Molokeev's work was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030″ for the Siberian Federal University . - ISSN 1293-2558. - ISSN 1873-3085
Перевод заглавия:
Синтез и характеризация новых молибдатов магния Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) со структурой типа лангбейнита
Кл.слова (ненормированные):
Solid state method
--
Langbeinite
--
Thallium
--
Impedance
spectroscopy
Аннотация:
In this work we have successfully synthesized pure phases of Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) langbeinite powders using the solid-state reaction method. Structural characterization was carried out via the Rietveld method on the X-ray powder diffraction data. The following unit cell parameters are calculated for Tl1.85K0.15Mg2(MoO4)3: a = 10.68509(16) A, V = 1219.93(6) A3, and for Tl1.85Rb0.15Mg2(MoO4)3: a = 10.69463(9) A, V = 1223.20(3) A3. The electrical conductivity was studied by impedance
spectroscopy
in the [473–1010 K] temperature range and results show that the Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) were ionic solid electrolyte conductors. Results also show that Tl1.85K0.15Mg2(MoO4)3 has the highest electrical conductivity.
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Держатели документа:
Baikal Institute of Nature Management, SB RAS, Sakhyanovoy St., 6, Ulan-Ude, 670047, Russia
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Academy of Sciences, 50 / 38 Akademgorodok, Krasnoyarsk, 660036, Russia
Siberian Federal University, 82 Svobodniy Av., Krasnoyarsk, 660041, Russia
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, Khabarovsk, 680021, Russia
Доп.точки доступа:
Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Bazarova, J. G.
}
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17.
The relationship between
the structural characteristics of α-Fe2O3 catalysts and their lattice oxygen reactivity regarding hydrogen / N. Kirik, A. Krylov, A. Boronin [et al.]> // Materials. - 2023. -
Vol. 16
,
Is. 12
: The 15th Anniversary of Materials — Recent Advances in Catalytic Materials. - Ст. 4466,
DOI
10.3390/ma16124466. - Cited References: 63. - This work was conducted within the framework of the budget project for the Institute of Chemistry and Chemical Technology of the Siberian Branch of the Russian Academy of Sciences, Federal Research Center KSC SB RAS, No. FWES–2021–0013 . - ISSN 1996-1944
Кл.слова (ненормированные):
α-Fe2O3
--
catalysts
--
calcinations
--
XRD
--
XPS
--
Raman
spectroscopy
characterization
--
temperature-programmed reduction
Аннотация:
In this paper, the relationship between the structural features of hematite samples calcined in the interval of 800–1100 °C and their reactivity regarding hydrogen studied in the temperature-programmed reaction (TPR-H2) was studied. The oxygen reactivity of the samples decreases with the increasing calcination temperature. The study of calcined hematite samples used X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), X-ray Photoelectron
Spectroscopy
(XPS), and Raman
spectroscopy
, and their textural characteristics were studied also. According to XRD results, hematite samples calcined in the temperature range under study are monophase, represented by the α-Fe2O3 phase, in which crystal density increases with increasing calcination temperature. The Raman
spectroscopy
results also register only the α-Fe2O3 phase; the samples consist of large, well-crystallized particles with smaller particles on their surface, having a significantly lower degree of crystallinity, and their proportion decreases with increasing calcination temperature. XPS results show the α-Fe2O3 surface enriched with Fe2+ ions, whose proportion increases with increasing calcination temperature, which leads to an increase in the lattice oxygen binding energy and a decrease in the α-Fe2O3 reactivity regarding hydrogen.
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Держатели документа:
Federal Research Center “Krasnoyarsk Science Center of Siberian Branch of the Russian Academy of Sciences”, Institute of Chemistry and Chemical Technology, 50/24, Akademgorodok, 660036 Krasnoyarsk, Russia
Federal Research Center “Krasnoyarsk Science Center of Siberian Branch of the Russian Academy of Sciences”, Kirensky Institute of Physics, 50/38, Akademgorodok, 660036 Krasnoyarsk, Russia
Federal Research Center Boreskov Institute of Catalysis, 5, Ac. Lavrentieva Ave., 630090 Novosibirsk, Russia
Department of Chemistry, 79, Svobodny Ave., Siberian Federal University, 660041 Krasnoyarsk, Russia
Доп.точки доступа:
Kirik, N.; Krylov, A. S.; Крылов, Александр Сергеевич; Boronin, A.; Koshcheev, S.; Solovyov, L.; Rabchevskii, E.; Shishkina, N.; Anshits, A.
}
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18.
Characterization and magnetic
properties of sintered glass-ceramics from dispersed fly ash microspheres / E. V. Fomenko, G. V. Akimochkina, Yu. V. Knyazev [et al.]> // Magnetochemistry. - 2023. -
Vol. 9
,
Is. 7
. - Ст. 177,
DOI
10.3390/magnetochemistry9070177. - Cited References: 50. - Russian Science Foundation and the Krasnoyarsk Regional Science Foundation, grant number 22-27-20039, https://rscf.ru/project/22-27-20039/ (accessed on 15 March 2023) . - ISSN 2312-7481
Кл.слова (ненормированные):
sintering
--
dispersed microspheres
--
fly ash
--
glass-ceramics
--
soft magnetic materials
--
characterization
--
Mossbauer
spectroscopy
--
magnetic measurements
Аннотация:
The recycling of hazardous industrial waste into high-tech materials with desired properties is of considerable interest since it provides optimal alternatives for its final disposal. Coal fly ash, the major waste generated by coal-fired power plants, contains significant quantities of dispersed microspheres with a diameter smaller than 10 μm, which are anthropogenic atmospheric pollutants PM10. Due to their composition and fine-grained powder morphology, they can be converted into sintered products. In this study, dispersed microspheres from class C fly ash were directly sintered without any additive to form high-strength glass-ceramics with magnetic properties. The optimum processing conditions were achieved at a temperature of 1200 °C, at which samples with a compressive strength of 100.6 MPa were obtained. Sintering reduces the quantity of the glass phase and promotes the formation of larnite, Fe-spinel, ye’elimite, and ternesite. Mössbauer measurements show that the relative concentration of the magnetic phase compared to the paramagnetic one rises almost in order. The sintered sample demonstrates a narrower distribution of the hyperfine magnetic field and a significantly lower value of the coercive field of 25 Oe, which allows proposing such materials as soft magnetic materials. The presented results demonstrate promising industrial applications of hazardous PM10 to minimize solid waste pollution.
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Держатели документа:
Institute of Chemistry and Chemical Technology, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50/24, 660036 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50/24, 660036 Krasnoyarsk, Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, 79 Svobodny Av., 660041 Krasnoyarsk, Russia
Laboratory of Electron Microscopy, Siberian Federal University, 79 Svobodny Av., 660041 Krasnoyarsk, Russia
Department of Chemistry, Siberian Federal University, Svobodny Av. 79, 660041 Krasnoyarsk, Russia
Доп.точки доступа:
Fomenko, E. V.; Akimochkina, G. V.; Knyazev, Yu. V.; Князев, Юрий Владимирович; Semenov, S. V.; Семёнов, Сергей Васильевич; Yumashev, V. V.; Solovyov, L. A.; Anshits, A. G.
}
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19.
Structure and vibrational
spectroscopy
of C82 fullerenol valent isomers: An experimental and theoretical joint study / F. N. Tomilin, P. V. Artyushenko, I. A. Shchugoreva [et al.]> // Molecules. - 2023. -
Vol. 28
,
Is. 4
. - Ст. 1569,
DOI
10.3390/molecules28041569. - Cited References: 57. - Synthesis and spectroscopic study of the Gd@C82OxHy complexes were supported by the Ministry of Science and Higher Education of the Russian Federation under project FWES-2022-0005. Molecular design of the fullerene derivatives was supported by the National Research Foundation of the Republic of Korea, grant NRF 2021R1A2C1010455. DFTB3 electronic structure calculations were supported by Project FSWM-2020-0033 of the Russian Ministry of Science and Education . - ISSN 1420-3049
Перевод заглавия:
Структура и колебательная спектроскопия валентных изомеров фуллеренола C82: совместное экспериментальное и теоретическое исследование
Кл.слова (ненормированные):
C82
--
Gd endohedral complexes
--
biomedical applications
--
fullerenols
--
DFTB3 electronic structure calculations
--
IR spectra
Аннотация:
Gd@C82OxHy endohedral complexes for advanced biomedical applications (computer tomography, cancer treatment, etc.) were synthesized using high-frequency arc plasma discharge through a mixture of graphite and Gd2O3 oxide. The Gd@C82 endohedral complex was isolated by high-efficiency liquid chromatography and consequently oxidized with the formation of a family of Gd endohedral fullerenols with gross formula Gd@C82O8(OH)20. Fourier-transformed infrared (FTIR)
spectroscopy
was used to study the structure and spectroscopic properties of the complexes in combination with the DFTB3 electronic structure calculations and infrared spectra simulations. It was shown that the main IR spectral features are formed by a fullerenole C82 cage that allows one to consider the force constants at the DFTB3 level of theory without consideration of gadolinium endohedral ions inside the carbon cage. Based on the comparison of experimental FTIR and theoretical DFTB3 IR spectra, it was found that oxidation of the C82 cage causes the formation of Gd@C82O28H20, with a breakdown of the integrity of the parent C82 cage with the formation of pores between neighboring carbonyl and carboxyl groups. The Gd@C82O6(OOH)2(OH)18 endohedral complex with epoxy, carbonyl and carboxyl groups was considered the most reliable fullerenole structural model.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Non-Ferrous Metals and Materials Science, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory for Digital Controlled Drugs and Theranostics, Federal Research Center Krasnoyarsk Scientific Center of the Siberian Branch of the RAS, Krasnoyarsk 660036, Russia
Laboratory for Biomolecular and Medical Technologies, Prof. V.F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk 660022, Russia
Department of Physics, Tomsk State University, Tomsk 634050, Russia
Department of Chemistry, Kyungpook National University, Daegu 41566, Republic of Korea
Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Artyushenko, P. V.; Shchugoreva, I. A.; Rogova, A. V.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Shestakov, N. P.; Шестаков, Николай Петрович; Tchaikovskaya, O. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.
}
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20.
Single crystals of
EuScCuSe3: Synthesis, experimental and DFT investigations / M. V. Grigoriev, A. V. Ruseikina, V. A. Chernyshev [et al.]> // Materials. - 2023. -
Vol. 16
,
Is. 4
. - Ст. 1555,
DOI
10.3390/ma16041555. - Cited References: 39. - 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 work was supported by The Ministry of Science and Higher Education of the Russian Federation, project, No. FEUZ-2023-0017 . - ISSN 1996-1944
Перевод заглавия:
Монокристаллы EuScCuSe3: синтез, экспериментальные и DFT-исследования
Кл.слова (ненормированные):
quaternary chalcogenides
--
crystal structure
--
DFT calculations
--
semiconductors
--
vibrational
spectroscopy
Аннотация:
EuScCuSe3 was synthesized from the elements for the first time by the method of cesium-iodide flux. The crystal belongs to the orthorhombic system (Cmcm) with the unit cell parameters a = 3.9883(3) Å, b = 13.2776(9) Å, c = 10.1728(7) Å, V = 538.70(7) Å3. Density functional (DFT) methods were used to study the crystal structure stability of EuScCuSe3 in the experimentally obtained Cmcm and the previously proposed Pnma space groups. It was shown that analysis of elastic properties as Raman and infrared
spectroscopy
are powerless for this particular task. The instability of EuScCuSe3 in space group Pnma space group is shown on the basis of phonon dispersion curve simulation. The EuScCuSe3 can be assigned to indirect wide-band gap semiconductors. It exhibits the properties of a soft ferromagnet at temperatures below 2 K.
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Держатели документа:
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Tyumen 625003, Russia
Institute of Inorganic Chemistry, University of Stuttgart, D-70569 Stuttgart, Germany
Institute of Natural Sciences and Mathematics, Ural Federal University named after the First President of Russia B.N. Yeltsin, Mira Str. 19, Ekaterinburg 620002, Russia
Laboratory of Molecular
Spectroscopy
, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
Institute of Physics and Technology, University of Tyumen, Tyumen 625003, Russia
Institute of Engineering Physics and Radioelectronic of Siberian State University, Krasnoyarsk 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
Доп.точки доступа:
Grigoriev, Maxim V.; Ruseikina, Anna V.; Chernyshev, Vladimir A.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Garmonov, Alexander A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Locke, Ralf J. C.; Elyshev, Andrey V.; Schleid, Thomas
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