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1.


   
    A high thermal stability Cr3+-doped gallate far red phosphor for plant lighting: structure, luminescence enhancement and application prospect / C. Zhou, L. Peng, Z. H. Kong [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 15. - P. 5829-5839, DOI 10.1039/d2tc00614f. - Cited References: 39. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant no. 51974123), the Distinguished Youth Foundation of Hunan Province (Grant no. 2020JJ2018), Key R & D projects in Hunan Province (2020WK2016 & 2020SK2032), the Hunan High Level Talent Gathering Project (2019RS1077 & 2020RC5007), the Natural Sciences Foundation of Hunan Agricultural University (19QN11), the Hunan Provincial Key Laboratory of Crop Germplasm Innovation and Resource Utilization Science Foundation (19KFXM12), the Changsha Science and technology plan (KH2005114), the Scientific Research Fund of Hunan Provincial Education Department (19C0903) and the Innovation Training Program for College Students of Hunan Province (No. S202010537012) . - ISSN 2050-7526. - ISSN 2050-7534
РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
EMITTING PHOSPHOR
   TUNING PHOTOLUMINESCENCE

   LEDS

Аннотация: Cationic substitution is a common material modification strategy. Generally, it follows the principles of radius matching, valency equilibrium and stoichiometric substitution. However, radius-mismatched, nonstoichiometric-ratio ion substitution can achieve unexpected experimental results. Such unexpected results are very important for expanding the research of materials, but the modification mechanism is still unclear. In this work, the optical performance of ZnGa2O4:0.02Cr3+ (ZGO:0.02Cr3+) is effectively regulated by chemical unit cosubstitution (Ge4+–Li+/Na+ for Ga3+–Zn2+) and excess cation substitution synergetic strategies, and the thermal stability is retained at 97.7% at room temperature and 150 °C. Ge4+–Li+ and Ge4+–Na+ replace the lattice position of Ga3+–Zn2+ to enhance the photoluminescence (PL) intensity and quantum efficiency (QE) of ZGO:0.02Cr3+. The optimal doping contents of Ge4+–Li+ and Ge4+–Na+ are all 0.3 mol (PL intensity is 130.3% and 153.4% and QE = 77.4% and 85.1%). With further addition of Li+ ions, the emission intensity and QE continued to increase to 176.4% and 83.8%, respectively. The synergistic effect of the mechanism on optical properties is explained via Rietveld refinement, optical band gap energy and thermoluminescence. Finally, LED devices were fabricated by using the ZGO:0.02Cr3+,0.03Ge4+,0.11Li+ phosphor to investigate the effect on plant growth. The growth period was reduced and the fruit quality was improved in dwarf potted tomato, which shows the application prospect in plant growth of the ZGO:0.02Cr3+ phosphor.

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Держатели документа:
Hunan Agr Univ, Sch Chem & Mat Sci, Changsha 410128, Peoples R China.
Hunan Opt Agr Engn Technol Res Ctr, Changsha 410128, Peoples R China.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Sun Yat Sen Univ, Sch Chem, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Guangdong, Peoples R China.

Доп.точки доступа:
Zhou, Cheng; Peng, L.u.; Kong, Zihui; Wu, Meihan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Zhi; Wang, Jing; Xia, Mao
}
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2.


   
    A novel Mn4+-activated fluoride red phosphor Cs30(Nb2O2F9)9(OH)3·H2O:Mn4+ with good waterproof stability for WLEDs / Y. Chen, F. Liu, Z. Zhang [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 18. - P. 7049-7057, DOI 10.1039/d2tc00132b. - Cited References: 56. - This work was financially supported by grants from the National Natural Science Foundation of China (NSFC) (No. 51802359), the Joint Funds of NSFC and Yunnan Province (No. U1702254), and Guangdong Basic and Applied Basic Research Foundation (No. 2020A1515010556) . - ISSN 2050-7534
   Перевод заглавия: Новый Mn4+-активированный фторидный красный люминофор Cs30(Nb2O2F9)9(OH)3ћH2O:Mn4+ с хорошей водонепроницаемостью для WLED
Кл.слова (ненормированные):
Crystal structure -- Fluorine compounds -- Gallium alloys -- III-V semiconductors -- Indium alloys -- Light emission -- Light emitting diodes -- Optical properties -- Phosphors -- Precipitation (chemical) -- Waterproofing
Аннотация: Red-light-emitting materials, as pivotal components of warm white light-emitting diodes (WLEDs), have drawn increasing public focus. Among these, Mn4+-doped red light-emitting fluorides have drawn considerable attention when combined with an InGaN chip; however, they suffer from poor water stability under humid conditions. In this work, a novel fluoride red phosphor, Cs30(Nb2O2F9)9(OH)3·H2O:xMn4+ (CNOFM), with good water resistance was synthesized for the first time using a facile co-precipitation method at ambient temperature. Experiments were implemented for the precise analysis of its crystal structure, optical properties, micro-morphology, thermal behavior, and waterproof properties. 6.66% Mn4+-doped CNOFM maintained a stable crystal structure and possessed strong PL intensity located at 633 nm with high color purity of 96%. CNOFM showed better thermal and waterproof stability compared with the commercial K2SiF6:Mn4+ red phosphor. Without any surface modifications, the PL intensity remained at about 83% of the initial value after immersion in water for 60 min, and the mechanism was investigated. Finally, a warm WLED with a CRI of 92.3 and CCT of 3271 K was fabricated using the CNOFM red phosphor.

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Держатели документа:
MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, Sun Yat-Sen University, School of Chemistry/School of Marine Sciences, 510275/Zhuhai, Guangzhou, 519082, China
Laboratory of Crystal Physics, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, 141980, Russian Federation
Institute of Resources Utilization and Rare Earth Development, Guangdong Academy of Sciences, Guangzhou, 510650, China

Доп.точки доступа:
Chen, Y.; Liu, F.; Zhang, Z.; Hong, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bobrikov, I. A.; Shi, J.; Zhou, J.; Wu, M.
}
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3.


    Zhandun, V. S.
    Ab Initio study of the relation between the structural, magnetic, and optical properties of normal and inverse MnGa2O4 spinels / V. S. Zhandun, A. V. Nemtsev // J. Exp. Theor. Phys. - 2020. - Vol. 130, Is. 3. - P. 418-422, DOI 10.1134/S106377612002017X. - Cited References: 20. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project no. 18-42-243019: "First-principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions." . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
STABILITY
Аннотация: The electronic, magnetic, and optical properties of MnGa2O4 in the structure of the normal and inverse spinels are subjected to an ab initio investigation and comparison. The generalized gradient approximation (GGA) predicts that the normal MnGa2O4 spinel is a semiconductor with a bandgap of about 0.7 eV, and a bandgap in the structure of the inverse spinel appears only in terms of the GGA + U approach. A simple exchange interaction model is used to calculate exchange integrals. In both structure types, MnGa2O4 exhibits antiferromagnetic behavior, and the normal structure is energetically favorable. The inverse spinel becomes energetically favorable only when a negative pressure is applied. The absorption spectra of the normal spinel are found to have a spectral window at a wavelength larger than 450 nm.

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Публикация на русском языке Жандун, Вячеслав Сергеевич. Исследование в рамках подхода ab initio взаимосвязи структурных, магнитных и оптических свойств нормальных и обратных шпинелей MnGa2O4 [Текст] / В. С. Жандун, А. В. Немцев // Журн. эксперим. и теор. физ. - 2020. - Т. 157 Вып. 3. - С. 498-503

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Fed Res Ctr,Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Немцев, Андрей В.; Nemtsev, A. V.; Жандун, Вячеслав Сергеевич; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [18-42-243019]
}
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4.


   
    Aliovalent substitution toward reinforced structural rigidity in Ce3+-doped garnet phosphors featuring improved performance / T. Hu [et al.] // J. Mater. Chem. C. - 2019. - Vol. 7, Is. 46. - P. 14594-14600, DOI 10.1039/c9tc05354a. - Cited References: 38. - This work was supported by the National Natural Science Foundation of China (No. 51722202 and 51972118), the Guangdong Provincial Science & Technology Project (2018A050506004) and the Fundamental Research Funds for the Central Universities (D2190980). . - ISSN 2050-7534
   Перевод заглавия: Алиовалентное замещение с целью усиления структурной жесткости в люминофорных гранатах, легированных Ce3 + и имеющих улучшенные характеристики
Кл.слова (ненормированные):
Color -- Deterioration -- Efficiency -- Gallium alloys -- Garnets -- III-V semiconductors -- Indium alloys -- Photoluminescence -- Reinforcement -- Rigidity -- Semiconductor alloys -- Thermal Engineering -- Thermodynamic stability
Аннотация: Highly efficient phosphors with thermal stability and color-tunable emission are required for the fabrication of phosphor-converted white light-emitting diodes (pc-WLEDs). Currently developed engineering strategies are generally successful in photoluminescence tuning but, unfortunately, suffer severe deterioration in emission intensity/efficiency and/or thermal stability. Herein, an efficient aliovalent substitution strategy toward reinforced structural rigidity is proposed and demonstrated experimentally. By incorporating Be2+ ion into the garnet-type Lu2SrAl4SiO12:Ce3+ phosphor, the phosphor shows enhanced internal/external quantum efficiency, from 79.2%/26.7% to 84.5%/32.9%, photoluminescence tuning from green (peaking at ∼512 nm) to yellow (peaking at ∼552 nm), and zero thermal quenching, even up to 200 °C. The Be2+ substitution at the Al2/Si2 site enables stable and rigid local surroundings around the Ce3+ activator, which is responsible for the unprecedented performance. In addition, high-quality warm WLED devices with a luminous efficiency of 158.1 lm W-1, correlated color temperature of 3858 K and high color rendering index of 81.7, are obtained by combining Lu2SrAl4SiO12:Ce3+,Be2+ as the yellow emitter, CaAlSiN3:Eu2+ as the red emitter and a blue-emitting InGaN chip. These findings highlight a new strategy for performance optimization of LED phosphors by selecting rigid covalent compounds with further reinforced structural rigidity via aliovalent substitution.

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Держатели документа:
State Key Laboratory of Luminescent Materials and Devices, Institute of Optical Communication Materials, South China University of Technology, Guangzhou, 510641, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Hu, T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Z.; Zhang, Q.
}
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5.


    Tsipotan, A.
    Alteration of the aggregation stability of quantum dots by irradiation / A. Tsipotan, A. Aleksandrovsky, V. Slabko // AIP Conf. Proc. - 2017. - Vol. 1874. - Ст. 040053, DOI 10.1063/1.4998126. - Cited References: 11
Аннотация: The influence of weak irradiation on the aggregation stability of quantum dots is considered. It was shown that under combined UV and visible light irradiation, a gradual increase in spontaneous aggregation takes place, testifying decrease in stabilizing potential barrier height. Thereby, the laser-induced controllable self-assembly of CdTe QDs is recommended to be performed over a time period between 80 and 100 min after the beginning of low intensity irradiation under conditions equivalent to those applied in this study.

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Доп.точки доступа:
Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Slabko, V.; International Conference on Metamaterials and Nanophotonics(2017 ; 18 - 22 Sept. ; Vladivostok)
}
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6.


   
    Amino-bridged attapulgite@perovskite nanocomposites: The role of bridge linkage to optical property and stability / L. Qiu, M. Guan, W. Wang [et al.] // Inorg. Chem. Front. - 2023. - Vol. 10, Is. 16. - P. 4797-4807, DOI 10.1039/D3QI00863K. - Cited References: 50. - This work was supported by the National Natural Science Foundation of China (Grant Nos. 52072349 and 52172162). 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), Shenzhen Science and Technology Program (JCYJ20220530162403007), and Key Research and Development Plan of Hubei Province. G.L. acknowledges support from the Natural Science Foundation of Zhejiang Province (LR22E020004). M.S. Molokeev and S.P. Polyutov acknowledge the support by the Ministry of Science and High Education of Russian Federation (Project No. FSRZ2023-0006) . - ISSN 2052-1553
   Перевод заглавия: Аминомостиковые нанокомпозиты аттапульгит@перовскит: роль мостиковой связи в их оптических свойствах и стабильности
Аннотация: Perovskite-based nanocomposites have garnered significant interests due to their potential in interfacial engineering, optical modification, and stability enhancement. However, current understanding of the construction models between perovskites and guest materials is limited, and the design concept of perovskite-based nanocomposites remains unclear. Herein, we thoroughly investigate the effects of amino bridge linkage in attapulgite@perovskite nanocomposites on the crystallization kinetics, optical properties, and stabilities of perovskites by monitoring the difference in structural, compositional, and morphological characteristics. The attapulgite@perovskite nanocomposite with amino bridge linkage exhibited a smaller average size distribution of 23.8 ± 5.8 nm, along with enhanced thermal stability (81% relative PL intensity after a heating-cooling cycle) and photo-stability (84% relative PL intensity after 30 h ultraviolet light irradiation). These improvements can be attributed to the adequate passivation of amino bridge linkages. Our work aims to provide a deeper understanding of perovskite-based nanocomposite construction and inspire new approaches for modifying their optical properties and enhancing their stability.

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Держатели документа:
Faculty of Materials Science and Chemistry, China University of Geosciences, 388 Lumo Road, Wuhan 430074, P. R. China.
Zhejiang Institute, China University of Geosciences, Hangzhou 311305, P. R. China.
Shenzhen Institute, China University of Geosciences, Shenzhen, 518052, P. R. China.
International Research Center of Spectroscopy and Quantum Chemistry — IRC SQC, Siberian Federal University, Krasnoyarsk, 660041, Russia.
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Qiu, Lei; Guan, Mengyu; Wang, Wei; Molokeev, M. S.; Молокеев, Максим Сергеевич; Polyutov, Sergey; Dai, Zhigao; Li, Guogang
}
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7.


   
    An analysis of the mechanism of Kerr effect enhancement in Mn/Dy/Bi / S. G. Ovchinnikov [et al.] // Phys. Solid State. - 1999. - Vol. 41, Is. 1. - P. 80-86, DOI 10.1134/1.1130733. - Cited References: 35 . - ISSN 1063-7834
РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   THIN-FILMS

   MAGNETIC-PROPERTIES

   RARE-EARTH

   MAGNETOOPTICAL PROPERTIES

   MNBI FILMS

   STABILITY

   GD

Аннотация: A study is reported of the structural, magnetic, and magneto-optic properties of Mn/Dy/Bi films obtained by multilayer technology. The maximum Kerr rotation angle in such films is shown to be theta(k) = 2.25 degrees. Possible reasons for such a large Kerr effect enhancement are considered, namely, an increase in the 6p - 3d transition probability caused by symmetry distortion, polarization of the Bi6p band, and a change in the density of states near the Fermi level. The latter reason has been analyzed by simulating the electronic structure of Mn/Dy/Bi through superposition of Dy levels on the MnBi band structure. This approach has revealed possible additional transitions which may be induced by the presence of a Dy buffer and could contribute to the Kerr magneto-optic effect. (C) 1999 American Institute of Physics. [S1063=7834(99)02001-8].

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Публикация на русском языке Анализ механизма увеличения эффекта Керра в Mn/Dy/Bi [Текст] / С. Г. Овчинников [и др.] // Физ. тверд. тела. - С.-Петербург, 1999. - Т. 41 Вып. 1. - С. 91-97

Держатели документа:
Russian Acad Sci, LV Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Burkova, L. V.; Буркова, Людмила Викторовна; Seredkin, V. A.; Середкин, Виталий Александрович; Yakovchuk, V. Y.
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8.


   
    Apatite oxynitride phosphor (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+: A single-phased host with solar-like and efficient emission / Y. Wu, W. Li, Y. Zheng [et al.] // J. Am. Ceram. Soc. - 2023. - Vol. 106, Is. 5. - P. 2985-2996, DOI 10.1111/jace.18981. - Cited References: 35. - This work was supported by the National Natural Science Foundation of China (Project No. 10804099, 21804119), Key projects of Zhejiang Natural Science Foundation (Project No. LZ18B050002), GDAS’ Project of Science and Technology Development (Nos. 2021GDASYL-20210103069, 2021GDASYL-20210103071) . - ISSN 0002-7820. - ISSN 1551-2916
   Перевод заглавия: Люминофор на основе оксинитрида апатита (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+: однофазная матрица с эффективным излучением почти солнечного спектра
Кл.слова (ненормированные):
apatite oxynitride -- color rendering index -- full-color-emitting phosphor -- quantum efficiency -- thermal stability
Аннотация: During pursuing high color rendering index for full-color-emitting phosphor, low quantum efficiency (QE) is usually accompanying. We intend to elevate the luminescence efficiency when realizing a solar-like spectra distribution, by constructing apatite structure oxynitride, inheriting high covalence and rigidity from oxynitride, and suitable multiple cation sites from oxyapatite compounds. Full-color-emitting apatite structure oxynitride phosphor (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+ has been prepared, and the crystal sites’ occupancies of activators in this host were favorable for white emission. (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+ phosphor shows whole visible light with emission wavelength ranging from 370 to 750 nm, matching the spectra of sunlight quite well. The fabricated white light-emitting diode lamp demonstrated the distinctive overall performance of QE and chromaticity properties (Ra and R9). Furthermore, correlated color temperature is tunable from cool nature to warm white. The obtained lamp possesses the feature of less blue light hazard and high saturation of red degree, compared with the commercial YAG-based lamp.

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Держатели документа:
College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, China
Research Center of Analysis and Measurement, Zhejiang University of Technology, Hangzhou, China
Institute of Semiconductors, Guangdong Academy of Sciences, Guangzhou, China
School of Applied Physics and Materials, Wuyi University, Jiangmen, Guangdong, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Wu, Yanzheng; Li, Weiqiang; Zheng, Yifan; Xu, Yiqin; Wen, Dawei; Molokeev, M. S.; Молокеев, Максим Сергеевич; Pan, Zaifa
}
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9.


   
    Atomic Structure and Energetic Stability of Complex Chiral Silicon Nanowires / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2010. - Vol. 114, Is. 35. - P. 14692-14696, DOI 10.1021/jp1016399. - Cited Reference Count: 36. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) and a collaborative RFBR-JSPS grant No. 09-02-92107-Phi. S.I. also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan. L.Ch. acknowledges support by the Presidium of Russian Academy of Sciences (Program No. 27). - Финансирующая организация: CREST (Core Research for Evolutional Science and Technology); Japan Science and Technology Agency (JST); RFBR-JSPS [09-02-92107]; Special Coordination Funds for Promoting Science and Technology (SCF); Presidium of Russian Academy of Sciences [27] . - SEP 9. - ISSN 1932-7447
Рубрики:
DENSITY-FUNCTIONAL METHODS
   GROWTH

   EXCHANGE

   NANOHELICES

   NANOSPRINGS

Кл.слова (ненормированные):
Ab initio -- Atomic structure -- Chiral complexes -- Consecutive shifts -- DFT method -- Energetic stability -- HOMO-LUMO gaps -- Metastable structures -- Potential barriers -- Si atoms -- Silicon Nanowires -- Unit cell parameters -- Atoms -- Chirality -- Electronic structure -- Enantiomers -- Metastable phases -- Nanowires -- Stereochemistry -- Wire -- Crystal atomic structure
Аннотация: Atomic and electronic structure and energetic stability of newly proposed pentagonal and hexagonal chiral complex silicon nanowires (NWs) composed of five or six (I 10) oriented crystalline fragments were studied using the ab initio DFT method. The chirality of the wires was caused by consecutive shifts of each fragment by 1/5 or 1/6 of the wire unit cell parameter and rotations of 4 degrees and 3.3 degrees for achiral pentagonal or hexagonal wires, respectively. Chirality causes the HOMO-LUMO gap to reduce by 0.1 eV. Chiral silicon nanowires are found to be metastable structures with a 4,5 (kcal/mol)/Si atom potential barrier for reversible chiral achiral transformation.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Minami, S.; Morokuma, K.; Irle, S.; Chernozatonskii, L.A.
}
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10.


   
    Biogenic ferrihydrite nanoparticles produced by Klebsiella oxytoca: Characterization, physicochemical properties and bovine serum albumin interactions / N. Cazacu, C. G. Chilom, S. Iftimie [et al.] // Nanomaterials. - 2022. - Vol. 12, Is. 2. - Ст. 249, DOI 10.3390/nano12020249. - Cited References: 59. - This research was funded by JINR Themes 02-1-1107-2011/2021, 04-5-1131-2017/2021 and 04-4-1133-2018/2023 and with the financial support of the RO-JINR Projects Nos. 366/11.05.2021 (items 7, 86, 97) and 365/11.05.2021 (items 8, 87 and 98). This work also benefited from the use of the SasView application, originally developed under NSF Award DMR-0520547. SasView also contains the code developed with funding from the EU Horizon 2020 program under the SINE2020 project Grant No 654000. The APC was funded by JINR Theme 02-1-1107-2011/2021, Project No. 366/11.05.2021, item 7. This study used the infrastructure of the Applied Genetics Resource Facility of MIPT (Suport Grant 075-15-2021-684) . - ISSN 2079-4991
РУБ Chemistry, Multidisciplinary + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
MAGNETIC-PROPERTIES
   REDUCTION

   MOSSBAUER

   FERRITIN

   DOCKING

   BINDING

Кл.слова (ненормированные):
biogenic ferrihydrite nanoparticles -- the binding mechanism -- energy transfer -- protein stability -- molecular docking
Аннотация: The synthesis of nanoparticles inside microorganisms is an economical alternative to chemical and physical methods of nanoparticle synthesis. In this study, ferrihydrite nanoparticles synthesized by Klebsiella oxytoca bacterium in special conditions were characterized by scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDS), small-angle X-ray (SAXS), UV-Vis spectroscopy, fluorescence, fluorescence resonance energy transfer (FRET), and molecular docking. The morphology and the structure of the particles were characterized by means of SEM and SAXS. The elemental content was determined by means of the EDS method. The absorption properties of the ferrihydrite nanoparticles were investigated by UV-Vis spectroscopy. The binding mechanism of the biogenic ferrihydrite nanoparticles to Bovine Serum Albumin (BSA) protein, studied by fluorescence, showed a static and weak process, combined with FRET. Protein denaturation by temperature and urea in the presence of the ferrihydrite nanoparticles demonstrated their influence on the unfolding process. The AutoDock Vina and UCSF Chimera programs were used to predict the optimal binding site of the ferrihydrite to BSA and to find the location of the hydrophobic cavities in the sub-domain IIA of the BSA structure.

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Univ Bucharest, Fac Phys, Dept Elect Solid State & Biophys, RO-077125 Magurele, Romania.
Horia Hulubei Natl Inst Phys & Nucl Engn, Dept Nucl Phys, RO-077125 Magurele, Romania.
Joint Inst Nucl Res, Dubna 141980, Russia.
Moscow Inst Phys & Technol, Dolgoprudnyi 141701, Russia.
Russian Acad Sci, Siberian Branch, Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sch Engn Phys & Radio Elect, Phys Dept, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Cazacu, Nicoleta; Chilom, Claudia G.; Iftimie, Sorina; Balasoiu, Maria; Ladygina, Valentina P.; Stolyar, S. V.; Столяр, Сергей Викторович; Orelovich, Oleg L.; Kovalev, Yuriy S.; Rogachev, Andrey V.
}
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11.


    Kolovsky, A. R.
    Bistability and chaos-assisted tunneling in dissipative quantum systems / A. R. Kolovsky // Phys. Rev. E. - 2022. - Vol. 106, Is. 1. - Ст. 014209, DOI 10.1103/PhysRevE.106.014209. - Cited References: 21. - The author acknowledges financial support from the Russian Science Foundation through Grant No. 19-12-00167 . - ISSN 2470-0045
Кл.слова (ненормированные):
Bi-stability -- Chaos-assisted tunneling -- Dissipative quantum systems -- Double resonance -- Driving frequencies -- Limit-cycle -- Multistability -- Non-linear oscillators -- Quantum limit -- Resonance model
Аннотация: We revisit the problem of quantum bi- and multistability by considering the dissipative double resonance model. For a large driving frequency, this system has a simpler phase structure than the driven dissipative nonlinear oscillator, the paradigm model for classical and quantum bistability. This allows us to obtain an analytical estimate for the lifetime of quantum limit cycles. On the other hand, for a small driving frequency, the system is much richer than the nonlinear oscillator. This allows us to address a novel phenomenon of dissipation- and chaos-assisted tunneling between quantum limits cycles.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Коловский, Андрей Радиевич
}
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12.


   
    Bloch oscillations of Bose-Einstein condensates: Quantum counterpart of dynamical instability / A. R. Kolovsky, H. J. Korsch, E. M. Graefe // Phys. Rev. A. - 2009. - Vol. 80, Is. 2, DOI 10.1103/PhysRevA.80.023617. - Cited Reference Count: 35. - Гранты: We thank D. Witthaut and F. Trimborn for valuable comments. Support from the Deutsche Forschungsgemeinschaft via the Graduiertenkolleg "Nichtlineare Optik und Ultrakurzzeitphysik" is gratefully acknowledged. - Финансирующая организация: Deutsche Forschungsgemeinschaft . - ISSN 1050-2947
Рубрики:
OPTICAL LATTICE
   ATOMS

Кл.слова (ненормированные):
Bloch dynamics -- Bloch oscillations -- Bogoliubov -- Bose-Einstein condensates -- Chaotic dynamics -- Cold atoms -- Decoherence -- Dinger equation -- Dynamical instabilities -- Equipartition -- Hubbard -- Mean-field -- Optical lattices -- Quantum counterpart -- Quasi-one-dimensional -- Quasimomentum -- Bose-Einstein condensation -- Hamiltonians -- Nonlinear equations -- Steam condensers -- Stability
Аннотация: We study the Bloch dynamics of a quasi-one-dimensional Bose-Einstein condensate of cold atoms in a tilted optical lattice modeled by a Hamiltonian of Bose-Hubbard type. The corresponding mean-field system described by a discrete nonlinear Schrodinger equation can exhibit dynamical (or modulation) instability due to chaotic dynamics and equipartition over the quasimomentum modes. It is shown that these phenomena are related to Bogoliubov's depletion of the Bose-Einstein condensate and a decoherence of the condensate in the many-particle description. Three types of dynamics are distinguished: (i) decaying oscillations in the region of dynamical instability and (ii) persisting Bloch oscillations or (iii) periodic decay and revivals in the region of stability.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660036, Russia
Tech Univ Kaiserslautern, Fachbereich Phys, D-67653 Kaiserslautern, Germany

Доп.точки доступа:
Kolovsky, A. R.; Коловский, Андрей Радиевич; Korsch, H. J.; Graefe, E. M.
}
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13.


   
    Ca6La4(SiO4)2(PO4)4O2:Eu2+: a novel apatite green-emitting phosphor for near-ultraviolet excited w-LEDs / Y. F. Xia [et al.] // J. Mater. Chem. C. - 2016. - Vol. 4, Is. 21. - P. 4675-4683, DOI 10.1039/c6tc01418f. - Cited References:37. - This study was sponsored by the National Natural Science Foundation of China (Grant No. 51472223), the Program for New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-12-0951) and the Fundamental Research Funds for the Central Universities (Grant No. 2652015020 and Grant No. 2652015008). . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Ca6La4(SiO4)2(PO4)4O2:Eu2+: Новый зеленый люминофор со структурой апатита для белых люминесцентных ламп (w-LED), облучающихся ультрафиолетом
РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
SOLID-SOLUTION PHOSPHORS
   PULSED-LASER DEPOSITION

   HIGH THERMAL-STABILITY

   WHITE-LIGHT

   LUMINESCENCE PROPERTIES

   ENERGY-TRANSFER

   SINGLE-PHASE

   CRYSTAL-STRUCTURE

   RED LUMINESCENCE

   EPITAXIAL-GROWTH

Аннотация: A novel apatite phosphor Ca6La4(SiO4)2(PO4)4O2:Eu2+ was prepared by conventional high-temperature solid-state reaction. Phase purity was examined by XRD and XPS analysis. The crystal structure information, such as space group, cell parameters and atomic coordinates, were refined by the Rietveld method, revealing that Eu2+ occupied the sites of Ca2+ ions. Moreover, low-temperature experiments, including low-temperature PL spectra and low-temperature decay curve, were used to prove the existence of two luminescence centers in Ca6La4(SiO4)2(PO4)4O2:Eu2+. With the increase in doping concentration of Eu2+, the emission wavelength shows a red shift from 498 nm to 510 nm, which is mainly caused by the increase in crystal-field splitting by Eu2+. The optimized concentration of Eu2+ was confirmed to be 0.01, the Rc was calculated to be 20.09 Å and the energy transfer between Eu2+ was demonstrated to be by exchange interaction. Moreover, good thermal stability has been proved by a temperature-dependence experiment; it shows that the phosphor can maintain 55% of emitting intensity at 150 °C compared to that at room temperature. Finally, the Ca6La4(SiO4)2(PO4)4O2:Eu2+ phosphor was fabricated with commercial red (CaAlSiN3:Eu2+) and blue (BAM:Eu2+) phosphor coating on a n-UV chip. This proves that this green phosphor has the potential to be used in a w-LED lamp.

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Держатели документа:
China Univ Geosci, Beijing Key Lab Mat Utilizat Nonmetall Minerals &, Sch Mat Sci & Technol, Natl Lab Mineral Mat, Beijing 100083, Peoples R China.
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Xia, Y. F.; Liu, Y. G.; Huang, Z. H.; Fang, M. H.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Mei, L. F.
}
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14.


    Vasiliev, A. D.
    Ciprofloxacinium malonate dihydrate: preparation, crystal structure, thermal stability / A. D. Vasiliev, N. N. Golovnev // J. Sib. Fed. Univ. Chem. - 2013. - Vol. 6, Is. 2. - P. 107-113 ; Журн. СФУ. Сер. "Химия"
   Перевод заглавия: Малонат дигидрат ципрофлоксацина: приготовление, кристаллическая структура, тепловая стабильность
Аннотация: Ciprofloxacinium malonate dihydrate (I) , C 17 H 19 FN 3 O 3 ∙C 3 H 3 O 4 ∙H 2 O, (C 17 H 18 FN 3 O 3 – ciprofloxacin, CfH; C 3 H 4 O 4 − malonic acid) has been crystallized from the mutual solution of malonic acid and ciprofloxacin in ambient conditions. It has improved aqueous solubility against the ciprofloxacin. The colourless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry and thermogravimetry. The obtained compound can be considered as a salt with ciprofloxacinium in the role of a cation and malonate as an anion. The compound is crystallized in the triclinic lattice with a = 7.283(2), b = 10.090(3), c = 15.104(5)Å, α = 102.711(4), β = 103.328(4), γ = 94.261(4)°, Z = 2, V = 1044.5(6)Å , S.G. P 1 . The crystal structure determination reveals the importance of inter-and intramolecular interactions in the crystal formation. Thermal behavior and solubility of I provided complementary evidences of salt formation.

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Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич

}
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15.


   
    Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs2AgInCl6 / J. Zhou [et al.] // J. Mater. Chem. A. - 2017. - Vol. 5, Is. 29. - P. 15031-15037, DOI 10.1039/c7ta04690a. - Cited References: 42. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). XZ acknowledges the support from the National Key Research and Development Program of China Grant No. 2016YFB0700700. . - ISSN 2050-7488
   Перевод заглавия: Моделирование состава, оптический зазор и исследования стабильности безсвинцового галогенидного двойного перовскита Cs2AgInCl6
Кл.слова (ненормированные):
Crystal growth -- Design for testability -- Energy gap -- Optical properties -- Perovskite -- Perovskite solar cells -- Solar absorbers -- Solar cells -- Structural design -- Band gap engineering -- Direct-gap semiconductor -- Environmentally benign -- Hydrothermal crystal growth -- Hydrothermal reaction -- Optoelectronic applications -- Rock salt structures -- Solar cell absorbers -- Crystal structure
Аннотация: The discovery of lead-free double perovskites provides a feasible way of searching for air-stable and environmentally benign solar cell absorbers. Herein we report the design and hydrothermal crystal growth of double perovskite Cs2AgInCl6. The crystal structure, morphology related to the crystal growth habit, band structure, optical properties, and stability are investigated in detail. This perovskite crystallized in a cubic unit cell with the space group Fm3m and is composed of [AgCl6] and [InCl6] octahedra alternating in a ordered rock-salt structure, and the as-obtained crystal size is dependent on the hydrothermal reaction time. Cs2AgInCl6 is a direct gap semiconductor with a wide band gap of 3.23 eV obtained experimentally and 3.33 eV obtained by DFT calculation. This theoretically predicted and experimentally confirmed optical gap is a prototype of the band gaps that are direct and optically allowed except at the single high-symmetry k-point, which didn't raise interest before but have potential applications in future technologies. Cs2AgInCl6 material with excellent moisture, light and heat stability shows great potential for photovoltaic and other optoelectronic applications via further band gap engineering. © 2017 The Royal Society of Chemistry.

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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Shenzhen Key Laboratory of Micro-Nano Photonic Information Technology, College of Electronic Science and Technology, Shenzhen University, Guangdong, China
College of Optoelectronic Engineering, Shenzhen University, Guangdong, China

Доп.точки доступа:
Zhou, J.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, X.; Peng, D.; Liu, Q.
}
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16.


    Ryzhkov, I. I.
    Convective stability of multicomponent fluids in the thermogravitational column / I. I. Ryzhkov, V. M. Shevtsova // Phys. Rev. E. - 2009. - Vol. 79, Is. 2. - Ст. 26308, DOI 10.1103/PhysRevE.79.026308. - Cited References: 26 . - ISSN 1539-3755
РУБ Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
THERMAL-DIFFUSION
   SORET COEFFICIENT

   MIXTURES

   SEPARATION

   LIQUID

Кл.слова (ненормированные):
convection -- density -- flow instability -- Galerkin method -- heat transfer -- mass transfer -- thermal diffusion -- Binary mixtures -- Fluids -- Galerkin methods -- Linear stability analysis -- Ternary systems -- Thermal diffusion -- Planes -- Binary fluids -- Convective stabilities -- Cross-diffusion effects -- Density stratifications -- Individual components -- Linear stabilities -- Longitudinal instabilities -- Longitudinal waves -- Multi-component fluids -- Separation ratios -- Soret effects -- Stability problems -- Temperature gradients -- Ternary fluids -- Ternary mixtures -- Thermal diffusion coefficients -- Transversal waves -- Vertical axis -- Vertical directions -- System stability
Аннотация: A comprehensive linear stability analysis of convection in the thermogravitational column is first performed for multicomponent fluids. Two types of perturbations are investigated: Longitudinal waves propagating in vertical direction of the column and transversal waves propagating perpendicular to the vertical axis and temperature gradient. The stability problems are reduced to those without cross-diffusion effect by a special transformation. The calculations are performed for binary and ternary mixtures by the Galerkin method. It is found that in binary fluids, the onset of longitudinal instability can be monotonic or oscillatory depending on the separation ratio, which characterizes the Soret effect. The difference between stability characteristics of binary and ternary fluids is associated with different diffusion times of components in a ternary system. It is shown that the mechanism of transversal instability is related to the unstable density stratification in the column (in total or due to individual components). The unstable stratification can only be realized in fluids with negative Soret effect. The analogue of exchange of stabilities principle for a plane column with a multicomponent fluid is proved. The obtained results indicate that the thermogravitational column can be used for measuring diffusion and thermal diffusion coefficients in ternary and higher mixtures with one or several components having negative Soret effect.

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Держатели документа:
[Ryzhkov, Ilya I.
Shevtsova, Valentina M.] Univ Libre Bruxelles, Dept Chem Phys, MRC, B-1050 Brussels, Belgium
[Ryzhkov, Ilya I.] Inst Computat Modelling SB RAS, Krasnoyarsk 660036, Russia
ИВМ СО РАН
MRC, Department of Chemical Physics, Universite Libre de Bruxelles, av. F.D. Roosevelt 50, B-1050 Brussels, Belgium
Institute of Computational Modelling, SB, RAS, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shevtsova, V. M.
}
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17.


   
    Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability / N. N. Golovnev [et al.] // Polyhedron. - 2017. - Vol. 134. - P. 120-125, DOI 10.1016/j.poly.2017.06.002. - Cited References: 25 . - ISSN 0277-5387
   Перевод заглавия: Координационные эффекты в гидратах 1,3-диэтил-2-тиобарбитуратов марганца(II) и их термическая стабильность
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Complexes -- X-ray diffraction -- Infrared spectroscopy -- Manganese(II)
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.

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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 Favorsky, Irkutsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Atuchin, V. V.
}
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18.


   
    Copper ferrite nanoparticles synthesized using anion-exchange Resin: Influence of synthesis parameters on the cubic phase stability / S. Saikova, A. Pavlikov, D. Karpov [et al.] // Materials. - 2023. - Vol. 16, Is. 6. - Ст. 2318, DOI 10.3390/ma16062318. - Cited References: 67. - The Russian team acknowledges the support of the Russian Science Foundation (Project 22-73-10047) . - ISSN 1996-1944
Кл.слова (ненормированные):
copper ferrite -- magnetic properties -- anion-exchange resin precipitation -- magnetic nanoparticles
Аннотация: Copper ferrite is of great interest to researchers as a material with unique magnetic, optical, catalytic, and structural properties. In particular, the magnetic properties of this material are structurally sensitive and can be tuned by changing the distribution of Cu and Fe cations in octahedral and tetrahedral positions by controlling the synthesis parameters. In this study, we propose a new, simple, and convenient method for the synthesis of copper ferrite nanoparticles using a strongly basic anion-exchange resin in the OH form. The effect and possible mechanism of polysaccharide addition on the elemental composition, yield, and particle size of CuFe2O4 are investigated and discussed. It is shown that anion-exchange resin precipitation leads to a mixture of unstable cubic (c-CuFe2O4) phases at standard temperature and stable tetragonal (t-CuFe2O4) phases. The effect of reaction conditions on the stability of c-CuFe2O4 is studied by temperature-dependent XRD measurements and discussed in terms of cation distribution, cooperative Jahn–Teller distortion, and Cu2+ and oxygen vacancies in the copper ferrite lattice. The observed differences in the values of the saturation magnetization and coercivity of the prepared samples are explained in terms of variations in the particle size and structural properties of copper ferrite.

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Держатели документа:
School of Non-Ferrous Metals and Material Science, Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Chemistry and Chemical Technology, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok, 660036 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok, 660036 Krasnoyarsk, Russia
Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala, Sweden

Доп.точки доступа:
Saikova, Svetlana; Pavlikov, Aleksandr; Karpov, Denis; Samoilo, Aleksandr; Kirik, Sergey; Volochaev, M. N.; Волочаев, Михаил Николаевич; Trofimova, Tatyana; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Kuklin, Artem
}
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19.


    IGNATCHENKO, V. A.
    CORRELATION-FUNCTIONS OF RANDOM ANISOTROPY AND THE PROBLEM OF FERROMAGNET STATE STABILITY / V. A. IGNATCHENKO, R. S. ISKHAKOV // Journal de Physique. - 1988. - Vol. 49, Is. C-8. - P. 1245-1246, DOI 10.1051/jphyscol:19888565. - Cited References: 8 . - ISSN 0302-0738
РУБ Physics, Multidisciplinary


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Держатели документа:
LV KIRENSKII PHYS INST,KRASNOYARSK 660036,USSR
ИФ СО РАН
Доп.точки доступа:
ISKHAKOV, R. S.; Исхаков, Рауф Садыкович; Игнатченко, Вальтер Алексеевич
}
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20.


    Golovnev, N. N.
    Crystal Structure and Properties of Levofloxacinium 2-Thiobarbiturate Trihydrate / N. N. Golovnev, M. S. Molokeev, M. K. Lesnikov // J. Struct. Chem. - 2018. - Vol. 59, Is. 3. - P. 646-651, DOI 10.1134/S0022476618030204. - Cited References: 20. - The work was performed within the State Task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh). . - ISSN 0022-4766. - ISSN 1573-8779
РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CIPROFLOXACIN
   MONOHYDRATE

   QUINOLONE

   ACID

Кл.слова (ненормированные):
levofloxacin -- 2-thiobarbituric acid -- salt -- crystal structure -- absolute -- structure -- thermal stability -- IR spectrum
Аннотация: The structure of levofloxacinium 2-thiobarbiturate trihydrate LevoH 2 + Htba–·3H2O (I) (LevoH is levofloxacin, H2tba is 2-thiobarbituric acid) is determined (CIF file CCDC No. 1547466); its thermal decomposition and IR spectrum are studied. The crystals of I are triclinic: a = 8.670(1) Å, b = 9.605(1) Å, c = 15.786(2) Å, α = 89.144(5)°, β = 88.279(5)°, γ = 76.068(5)°, V = 1275.4(3) Å3, space group P1, Z = 2. The unit cell of I contains two LevoH 2 + ions, two Htba– ions, and six H2O molecules. The absolute structure of the crystal and the configuration of the chiral center in a levofloxacin molecule S are determined. Experiments for generating the second optical harmonics gave a positive result. Intermolecular hydrogen bonds (HBs) N–H···O and O–H···O in I form a bilayer system along the ab diagonal with hydrophilic moieties within a layer and hydrophobic moieties directed outward. The structure is stabilized by multiple HBs and the π–π interaction between the Htba–and LevoH 2 + ions and between the LevoH 2 + ions.

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Публикация на русском языке Головнёв Н. Н. Кристаллическая структура и свойства тригидрата 2-тиобарбитурата левофлоксациния [Текст] / Н. Н. Головнёв, М. С. Молокеев, М. К. Лесников // Журн. структ. химии. - 2018. - Т. 59 № 3. - С. 668-673

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
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