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| 1. 
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(NH4)3HfF7: Crystallooptical and calorimetric studies of a number of successive phase transitions / E. Pogoreltsev [et al.] // J. Fluor. Chem. - 2017. - Vol. 204. - P. 45-49, DOI 10.1016/j.jfluchem.2017.10.004. - Cited References: 14
. - ISSN 0022-1139
Перевод заглавия: (NH4)3HfF7: Кристаллооптические и калориметрические исследования ряда последовательных фазовых переходов
Аннотация: Single crystals of (NH4)3HfF7 were grown. Polarising optical observations as well as measurement of the heat capacity and birefringence Δn(Т) were performed in the temperature range of 200–310 K. Reversible phase transitions at temperatures T0 = 290 K, Т1 = 280.5 K, Т2 ≈ 273 K, Т3 = 266 K, Т4 = 259 K, Т5 = 231 K, Т6 = 229 K were found. Observations in polarised light make it possible to suggest a sequence of changes in the symmetry groups for these transitions: Fm3m ⟵Т0→ cub. ⟵Т1→ mmm (1) ⟵Т2→ mmm (2) ⟵Т3→ mmm (3) ⟵Т5→ 2/c. The T-p phase diagram was studied and the temperature boundaries of the stability of the distorted crystalline phases were determined. A significant change of the entropy at successive phase transitions ΣΔS = 10.6 J/mol K indicates a disordering of the initial cubic phase.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, Russian Federation
Доп.точки доступа:
Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Melnikova, S.V.; Мельникова, Светлана Владимировна; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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| 2.
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9th-order nonlinear polarization and VUV generation in HG vapor / V. F. Lukinykh [et al.] // Appl. Phys. B. - 1984. - Vol. 34, Is. 3. - P. 171-173, DOI 10.1007/BF00697511. - Cited References: 13
. - ISSN 0721-7269РУБ Physics, Applied
Кл.слова (ненормированные):
42.65 -- 42.80 -- LIGHT - Nonlinear Optical Effects -- VAPORS -- MERCURY AND AMALGAMS
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Держатели документа:
L. V. Kirensky Institute of Physics, USSR Academy of Sciences, Siberian Branch, Krasnoyarsk, SU-660036, Russia
Krasnoyarsk State University, Krasnoyarsk, Russia
Доп.точки доступа:
Lukinykh, V. F.; Myslivets, S. A.; Мысливец, Сергей Александрович; Popov, A. K.; Попов, Александр Кузьмич; Slabko, V. V.; Слабко, Виталий Васильевич
}
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| 3.
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A comparative study of the structure of copper and lead xanthates / S. A. Vorobyev [et al.] // J. Struct. Chem. - 2017. - Vol. 58, Is. 6. - P. 1144-1151, DOI 10.1134/S0022476617060117. - Cited References: 38
. - ISSN 0022-4766
Кл.слова (ненормированные):
copper xanthate -- lead xanthate -- dixanthogen -- structure -- XPS -- EXAFS -- solid state NMR
Аннотация: XPS, PbL3 and CuK EXAFS, solid state NMR, and EPR techniques are used to study insoluble products formed in the interaction of aqueous solutions of lead(II) nitrate and copper (II) sulfate with potassium nbutylxanthate (KX). The XPS spectra of lead xanthates with the composition PbX2 are similar to those of KX, and interatomic distances of 0.279 nm suggest a nearly ionic character of Pb–S bonds. In copper xanthate precipitating together with dixanthogen (approximately 15 wt.%), the Cu(I)–S bond length is smaller (0.229 nm), and copper coordination number of 2.9 in a composite with dixanthogen increases to 3.3 after its removal by washing with acetone. The XPS spectra indicate the covalent character of the bond and non-equivalence of xanthate radicals. Solid state 1H and 13C NMR spectra as well as the actual absence of metal lines under the measurement conditions demonstrate strong disordering of the structure of xanthates, which is stronger for PbX2 and weakest in CuX after the removal of dixanthogen. EPR reveals sulfur-containing radicals and Cu2+ in CuX, however, their amounts are insignificant and decrease after the washing with acetone. The results of the work are significant for the understanding of the reactivity of xanthates, in particular, under the conditions of flotation of base metal ores.
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Публикация на русском языке Сравнительное исследование структуры ксантогенатов меди и свинца [Текст] / C. А. Воробьев [и др.] // Журн. структ. химии. - 2017. - Т. 58 № 6. - С. 1191-1198
Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Kirensky Insitute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Vorobyev, S. A.; Saikova, S. V.; Erenburg, S. B.; Trubina, S. V.; Ivanov, Y. N.; Иванов, Юрий Николаевич; Maksimov, N. G.; Mikhlin, Y. L.
}
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| 4.
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A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study / A. O. Lykhin [et al.] // J. Coord. Chem. - 2014. - Vol. 67, Is. 16. - З. 2783-2794, DOI 10.1080/00958972.2014.938065. - Cited References: 48. - The reported study was supported by RFBR, research project No. 14-03-31, 170 MOJI_a and Krasnoyarsk regional fund for supporting scientific and technological activities. We thank the Center for Equipment Joint Use of the Siberian Federal University. We are grateful to the HPC Research Departments of Siberian Federal University and Moscow University Supercomputing Center (SKIF MSU "Chebyshev") for the access to the high-performance computer clusters.
. - ISSN 0095-8972. - ISSN 1029-0389РУБ Chemistry, Inorganic & Nuclear
Рубрики:
BETA-LACTAM ANTIBIOTICS
TERNARY COMPLEX
METAL-COMPLEXES
BASIS-SETS
3 DECADES
RESISTANCE
COPPER(II)
CEPHALOSPORINS
EVOLUTION
1ST-ROW
Кл.слова (ненормированные):
Ceftriaxone lead(II) complex -- DFT -- IR spectroscopy -- TGA -- Antibacterial screening
Аннотация: A Pb(II) complex with ceftriaxone (H2Ceftria) antibiotic was synthesized by reaction of ceftriaxone disodium salt (hemi)heptahydrate with lead nitrate in water–ethanol medium. The complex was characterized on the basis of complexometric titration, spectrophotometric and thermogravimetric analyses, capillary electrophoresis, IR, Raman and UV–vis spectroscopies, and density functional theory calculations. Pb(II) is five-coordinate with distorted square pyramidal geometry. The coordination of Ceftria2− to Pb(II) occurs through N and O of the triazine, lactam carbonyl, carboxylate, and amine groups. The antibacterial activity study showed that Klebsiella pneumoniae is resistant to [Pb(Ceftria)]·3H2O. The antibacterial activity of [Pb(Ceftria)]·3H2O against Staphylococcus aureus is reduced compared with ceftriaxone. In contrast, the antibacterial activity of [Pb(Ceftria)]·3H2O against Escherichia coli is 28% higher than that of ceftriaxone antibiotic.
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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia
Siberian State Aerosp Univ, Informat Sci & Telecommun Inst, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia
Siberian State Technol Univ, Dept Phys, Krasnoyarsk, Russia
Univ Nevada, Dept Chem, Reno, NV 89557 USA
Доп.точки доступа:
Lykhin, A. O.; Лыхин А. О.; Novikova, G. V.; Новикова Г. В.; Kuzubov, A. A.; Кузубов, Александр Александрович; Staloverova, N. A.; Сталоверова Н. А.; Sarmatova, N. I.; Сарматова Н. И.; Varganov, S. A.; Варганов, Сергей Александрович; Krasnov, P. O.; Краснов, Павел Олегович; RFBR [14-03-31, 170 MOJI_a]
}
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| 5.
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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 2050-7534РУБ 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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| 6.
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A novel Cr3+-doped stannate far red phosphor for plant lighting: structure evolution, broad-narrow spectrum tuning and application prospect / S. J. Gai, C. Zhou, L. Peng [et al.] // Mater. Today Chem. - 2022. - Vol. 26. - Ст. 101107, DOI 10.1016/j.mtchem.2022.101107. - Cited References: 50. - 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), the Key R & D projects in Hunan Province (2020WK2016, 2020SK2032, 2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), the Hunan High Level Talent Gathering Project (2019RS1077&2020RC5007), the Scientific Research Fund of Hunan Provincial Education Department (19C0903), the Natural Sciences Foundation of Hunan Agricultural University, China (Grant No. 19QN11), Hunan Provincial Key Laboratory of Crop Germplasm Innovation and Resource Utilization Science Foundation (19KFXM12), Changsha Science and technology plan (KH2005114 and KH2201428), the Hunan Graduate Scientific Research Innovation Project (2022XC017) and the College Students' Innovative Training (S202110537012 and s202210537079x)
. - ISSN 2468-5194
Перевод заглавия: Новый станнатный инфракрасный люминофор, легированный Cr3+, для освещения растений: решение структуры, настройка широкого спектра и перспективы применения
Кл.слова (ненормированные):
Mg2SnO4: Cr3+ -- Chemical unit cosubstitution -- Emission tuning -- Local structural modification -- Plant growth LEDs
Аннотация: Chemical unit cosubstitution is an effective strategy to regulate the luminescence properties of phosphors, and it has attracted huge attention in the last few years. Following the design principles of the match of effective ion radius, atomic valence equilibrium and stoichiometric substitution, the local structure of crystal can be well customized, which is beneficial to develop high-performance luminescent materials. In this work, Mg2+-Sn4+ sites were cosubstituted by Zn2+-Ti4+ ion pairs in Mg2SnO4: Cr3+, respectively, and the emission spectra was successfully serially tuned from broad-band to narrow-band along with a unique variation trend of blue shift first and then slightly red shift. The photoluminescence excitation (PLE), photoluminescence (PL) spectra, lifetime decay, Raman spectra and electron paramagnetic resonance (EPR) were used to analyze the mechanism of luminescence tuning. Based on the manipulation of local structure, the as-observed distinct luminescence tuning can be well understood by the crystal field theory, nephelauxetic effect and changed Cr3+ capacity in this phosphor. Moreover, the adjusted narrow-band far-red emission spectra peak at 732 nm, matching the characteristic absorption of plant phytochrome PFR, has broad application prospects in the field of plant growth lighting. In addition, light-regulated dwarf potted tomato experiments were carried out to verify the application of far-red light in plant growth.
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Держатели документа:
College of Bioscience and Biotechnology, Hunan Agricultural University, Changsha, 410128, China
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha, 410128, China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha, 410128, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk660036, Russian Federation
Доп.точки доступа:
Gai, S. J.; Zhou, C.; Peng, L.; Wu, M. H.; Gao, P. X.; Su, L. J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Z.; Xia, M.
}
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| 7.
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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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| 8.
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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Ca2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // Journal of Structural Chemistry. - 2011. - Т. 52, № 5. - P870-875
. - ISSN 0022-4766. - ISSN 1573-8779
РИНЦ
Держатели документа:
Institute of Biophysics,Siberian Division,Russian Academy of Sciences
L. V. Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
M. F. Reshetnev Siberian State Aerospace University
Доп.точки доступа:
Antipina, L.Y.; Tomilin, F. N.; Томилин, Феликс Николаевич; Ovchinnikov, S.G.; Vysotskii, E.S.
}
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| 9.
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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // J. Struct. Chem. - 2011. - Vol. 52, Is. 5. - P. 870-875. - Cited References: 19. - The work was supported by RFBR (07-04-00930-a), the "Molecular and Cell Biology" Program of the Presidium of the Russian Academy of Sciences, and the Program of the Siberian Division of the Russian Academy of Sciences (project No. 2) within the implementation of the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2010" (P333 and P213).
. - ISSN 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CALCIUM-DISCHARGED OBELIN
SEMIEMPIRICAL METHODS
1.7 ANGSTROM
OPTIMIZATION
PARAMETERS
MECHANISM
FLUORESCENCE
ELEMENTS
PROTEIN
EMITTER
Кл.слова (ненормированные):
coelenterazine -- 2-hydroperoxy-coelenterazine -- Obelia longissima -- Renilla muelleri
Аннотация: The Ca2+-regulated photoprotein obelin determines the luminescence of the marine hydroid Obelia longissima. Bioluminescence is initiated by calcium and appears as a result of the oxidative decarboxylation related to the coelenterazine substrate. The luciferase of the luminescent marine coral Renilla muelleri (RM) also uses coelenterazine as a substrate. However, three proteins are involved in the in vivo bioluminescence of these animals: luciferase, green fluorescent protein, and Ca2+-regulated coelenterazine-binding protein (CBP). In fact, CBP that contains one strongly bound coelenterazine molecule is the RM luciferase substrate in the in vivo bioluminescent reaction. Coelenterazine becomes available for oxygen and the reaction with luciferase only after binding CBP with calcium ions. Unlike Ca2+-regulated photoproteins, the coelenterazine molecule is not activated by oxygen in the CBP molecule. In this work, by means of quantum chemical methods the behavior of substrates in these proteins is analyzed. It is shown that coelenterazine can form different tautomers: CLZ(2H) and CLZ(7H). The formation of 2-hydroperoxy-coelenterazine is studied. According to the obtained data, these proteins use different forms of the substrates for the reaction. In obelin, the substrate is in the CLZ(2H) form that affords hydrogen peroxide. In RM, coelenterazine is in the CLZ(7H) form, and therefore, CBP is not activated by oxygen.
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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Biophys, Siberian Div, Krasnoyarsk, Russia
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia
Доп.точки доступа:
Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Vysotski, E. S.; Высоцкий, Евгений Степанович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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| 10.
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A simple method for the preparation of 3,5-dinitrimino-1,2,4-triazole and its salts / A. M. Astakhov [et al.] // Chem. Heterocycl. Compds. - 2017. - Vol. 53, Is. 6-7. - P. 722-727, DOI 10.1007/s10593-017-2116-7. - Cited References:33
. - ISSN 0009-3122. - ISSN 1573-8353РУБ Chemistry, Organic
Рубрики:
ENERGETIC MATERIALS
DERIVATIVES
2-NITROGUANIDINE
Кл.слова (ненормированные):
3,5-dinitramino-1,2,4-triazole -- 3,5-dinitrimino-1,2,4-triazole -- 1,2,4-triazoles -- energetic compounds -- nitramines -- nitrimines -- nucleophilic substitution
Аннотация: The reaction of 2-methyl-1-nitrD 3/4 isothiourea with hydrazine in the presence of alkali metal bicarbonates (carbonates) resulted in the formation of 3,5-dinitrimino-1,2,4-triazole salts. The same salts were also formed by a reaction of 2-methyl-1-nitrD 3/4 isothiourea with alkali metal salts of 4-nitrD 3/4 semicarbazide. This represents the first synthesis and characterization of the high-energy 3,5-dinitrimino-1,2,4-triazole, which can be readily isolated by treatment of its disodium salt with HCl.
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Держатели документа:
Reshetnev Siberian State Univ Sci & Technol, 31 Krasnoyarsky Rabochy Ave, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Akademgorodok 50,Bldg 38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Ave, Krasnoyarsk 660041, Russia.
Доп.точки доступа:
Astakhov, A. M.; Antishin, D. V.; Revenko, V. A.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Buka, E. S.
}
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| 11.
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Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: A DFT study of the B800 part / L. V. Begunovich, E. A. Kovaleva, M. M. Korshunov, V. F. Shabanov // J. Photochem. Photobiol. A: Chem. - 2024. - Vol. 450. - Ст. 115454, DOI 10.1016/j.jphotochem.2023.115454. - Cited References: 42. - This work was supported by the state assignment of the Ministry of Science and Higher Education of the Russian Federation. Authors would like to thank Information Technology Centre, Novosibirsk State University for providing access to their supercomputers. L.V.B. would like to thank Irkutsk Supercomputer Center of SB RAS for providing the access to HPC-cluster «Akademik V.M. Matrosov» (Irkutsk Supercomputer Center of SB RAS, Irkutsk: ISDCT SB RAS; http://hpc.icc.ru, accessed 20.10.2023)
. - ISSN 1010-6030. - ISSN 1873-2666
Кл.слова (ненормированные):
Photosynthesis -- LH2 -- Light harvesting -- Rhodoblastus acidophilus -- Bacteriochlorophyll -- DFT -- DFTB -- Optical spectra
Аннотация: We’ve studied the B800 part of Rhodoblastus acidophilus light-harvesting complex (LH2) by several quantum chemical techniques based on the density functional theory (DFT) and determined the specific method and a minimal reliable model suitable for further studies of the LH2. In addition to bacteriochlorophyll a molecules, the minimal model includes two α and one β chain amino acids. Within the model, we are able to reproduce the contribution of the B800 ring of nine bacteriochlorophyll a molecules to the near infrared Qy absorption band. We also discuss the use of hybrid DFT calculations for precise energy and optical estimations and DFT-based tight binding (DFTB) method for the large-scale calculations. Crucial importance of Hartree-Fock exchange interaction for the correct description of B800 peak position was shown.
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Держатели документа:
Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Доп.точки доступа:
Begunovich, L. V.; Kovaleva, E. A.; Korshunov, M. M.; Коршунов, Максим Михайлович; Shabanov, V. F.; Шабанов, Василий Филиппович
}
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| 12.
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Achieving excellent thermostable red emission in singly Mn2+-doped near zero thermal expansion (NZTE) material Li2Zn3(P2O7)2 / Q. Liu, P. Dang, G. Zhang [et al.] // J. Mater. Chem. C. - 2023. - Vol. 11, Is. 31. - P. 10684-10693, DOI 10.1039/D3TC01683H. - Cited References: 62. - This work wasfinancially supported by the National Science and Technology Major Project (2022YFB3503800), the Projects for Science and Technology Development Plan of Jilin Province (20210402046GH), the National Natural Science Foundation of China (NSFC No. 51932009, 51929201, 52072349, 52172166), the Natural Science Foundation of Zhejiang Province (LR22E020004), the Project funded by China Postdoctoral Science Foundation (2022TQ0365), and the Ministry of Science and High Education of Russian Federation (Project No. FSRZ2023-0006), M.S. Molokeev and S.P. Polyutov acknowledge the support by the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2023-0006)
. - ISSN 2050-7526. - ISSN 2050-7534
Перевод заглавия: Достижение превосходной термостабильной красной эмиссии в однократно легированном Mn2+ материале с почти нулевым тепловым расширением (NZTE) Li2Zn3(P2O7)2
Аннотация: The design of thermostable phosphor is still a pivotal challenge in pc-WLED applications. Herein, an efficient strategy is proposed to design excellent thermostable red emission in singly Mn2+-doped near zero thermal expansion (NZTE) material Li2Zn3(P2O7)2. Under the excitation of 412 nm wavelength, the emission could be tuned from 636 to 672 nm by increasing the Mn2+ doping level via synthetic effect among crystal field, the exchange coupling interaction in Mn-Mn dimers and energy transfer in different luminescence centers. The PL intensity of LZPO:Mn2+ maintains 97% at 150 °C and 94% at 200 °C of initial intensity at the room temperature. During the heat process, the LZPO presents near zero thermal expansion, which contributes to the nearly unaffected PL intensity. The traps assist energy transfer to luminescent center is also compensated for the emission loss. This work not only offers a perspective idea for elucidating the correlation between crystal structure and optical properties, but also opens a new way in line with that of designing excellent thermostable luminescent materials based on NZTE materials in self-reduction system.
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Держатели документа:
State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun 130022, P. R. China
School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, P. R. China
Faculty of Materials Science and Chemistry, China University of Geoscience, Wuhan 430074, 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
Zhejiang Institute, China University of Geosciences, Hangzhou, 311305, P. R. China
Доп.точки доступа:
Liu, Qin; Dang, Peipei; Zhang, Guodong; Molokeev, M. S.; Молокеев, Максим Сергеевич; Polyutov, Sergey; Lian, Hongzhou; Cheng, Ziyong; Li, Guogang; Lin, Jun
}
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| 13.
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Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects / P. V. Artyushenko [et al.] // J. Struct. Chem. - 2016. - Vol. 57, Is. 2. - P. 287-293, DOI 10.1134/S0022476616020074. - Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132.
. - ISSN 0022-4766. - ISSN 1573-8779РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
Monochamus-galloprovincialis coleoptera
Density-functional theories
Beetle Ips-typographus
Pine sawyer beetle
Aggregation pheromone
Cerambycidae
Attraction
Components
Attack
Set
Кл.слова (ненормированные):
atomic and electronic structure -- functional density methods -- absorption -- spectra -- excited states -- xylophages -- pheromones
Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.
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Публикация на русском языке Влияние атомной и электронной структуры молекул феромонов на эффективность коммуникации насекомых-ксилофагов [Текст] / П. В. Артюшенко [и др.] // Журн. структ. химии. - 2016. - Т. 57 № 2. - С. 304-310
Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, KSC Presidium, Int Res Ctr Studies Extreme States Organism, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Sukachev Inst Forest, Krasnoyarsk, Russia.
Доп.точки доступа:
Artyushenko, P. V.; Артюшенко, Полина Владимировна; Tomilin, F. N.; Томилин, Феликс Николаевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Tsikalova, P. E.; Ovchinnikova, T. M.; Soukhovolsky, V. G.; RFBR [13-04-00375, 16-04-00132]
}
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| 14.
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Actual composition and structure of manganese ferrite nanoparticles dispersed in the borate glass matrix / I. G. Vasilyeva [et al.] // Doklady Chemistry. - 2005. - Vol. 401, Is. 1-3. - P. 47-50, DOI 10.1007/s10631-005-0029-y
. - ISSN 0012-5008
Кл.слова (ненормированные):
boric acid -- ferrite -- glass -- manganese derivative -- analytic method -- article -- chemical composition -- chemical structure -- nanoparticle -- stoichiometry -- structure analysis -- transmission electron microscopy -- X ray analysis
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Публикация на русском языке Реальный состав и структура наночастиц феррита марганца, диспергированных в матрице боратных стекол [Текст] / И. Г. Васильева [и др.] // Доклады Академии наук. - 2005. - Т. 401 № 3. - С. 349-352
Держатели документа:
Nikolaev Inst. of Inorg. Chemistry, Siberian Division, Russian Academy of Sciences, pr. akademika Lavrent'eva 3, Novosibirsk, 630090, Russian Federation
Boreskov Institute of Catalysis, Siberian Division, Russian Academy of Sciences, pr. akademika Lavrent'eva 5, Novosibirsk, 630090, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
All-Russia Research Center, Vavilov State Optical Institute, ul. Babushkina 36/1, St. Petersburg, 192371, Russian Federation
Доп.точки доступа:
Vasilyeva, I. G.; Dovlitova, L. S.; Zaikovskii, V. I.; Malakhov, V. V.; Edel'man, I. S.; Эдельман, Ирина Самсоновна; Stepanov, A. S.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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| 15.
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Aleksandrov, K. S.
Crystal chemistry and prediction of compounds with a structure of skutterudite type / K. S. Aleksandrov, B. V. Beznosikov // Crystallogr. Rep. - 2007. - Vol. 52, Is. 1. - P. 28-36, DOI 10.1134/S106377450701004X. - Cited References: 47
. - ISSN 1063-7745
Рубрики:
SUPERCONDUCTOR PROS4SB12
MAGNETIC-PROPERTIES
HIGH-PRESSURE
RARE-EARTH
TRANSITION
LAFE4P12
Аннотация: Crystallochemical analysis of skutterudite-type structures in the BX3, AB(4)X(12), and A B-3' B4O12 compositions (A and B are metals; X = P, As, Sb) has been performed. Probable regions of structure formation are determined, thereby indicating that more than 270 new compounds of the AB4X12 composition can be synthesized.(1)
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Публикация на русском языке Александров, Кирилл Сергеевич. Кристаллохимия и прогноз соединений со структурой типа скуттерудита [Текст] / К. С. Александров, Б. В. Безносиков // Кристаллография. - 2007. - Т. 52 Вып. 1. - С. 32-40
Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич
}
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| 16.
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Aleksandrov, K. S.
Phase-transitions and distortions of the structure in the family of crystals related to alpha-k2so / K. S. Aleksandrov // Kristallografiya. - 1993. - Vol. 38, Is. 1. - P. 128-139 ; Crystallogr. Rep. - Cited References: 38
. - ISSN 0023-4761
Рубрики:
X-RAY
EXPECTED STRUCTURES
A2BX4 COMPOUNDS
TEMPERATURE
(NH4)2BEF4
CHEMISTRY
DISORDER
SYMMETRY
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Публикация на русском языке Александров, Кирилл Сергеевич. Фазовые переходы и искажения структуры в семействе кристаллов родственных α – K2SO4. [Текст] / К. С. Александров // Кристаллография. - 1993. - Т. 38 Вып. 1. - С. 128-139
Доп.точки доступа:
Александров, Кирилл Сергеевич
}
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| 17.
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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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| 18.
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Alloying Cs+ into Rb2ZrCl6:Te4+ toward highly efficient and stable perovskite variants / J. Zhou, X. M. Rong, M. S. Molokeev [et al.] // Mat. Chem. Front. - 2021. - Vol. 5, Is. 13. - P. 4997-5003, DOI 10.1039/d1qm00302j. - Cited References: 37. - This work is supported by Beijing Natural Science Foundation (No. 2214068), the National Natural Science Foundation of China (No. 61705003), and the Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007 and PXM2020_014213_000017)
. - ISSN 2052-1537
Перевод заглавия: Легирование Cs+ в Rb2ZrCl6:Te4 + для получения высокоэффективного и стабильного перовскитаРУБ Chemistry, Multidisciplinary + Materials Science, Multidisciplinary
Рубрики:
TELLER
PHOTOLUMINESCENCE
TELLURIUM(IV)
COMPLEXES
PHOSPHORS
Аннотация: Doping or alloying in perovskites and perovskite variants provides a promising way for modulating the electronic and photoluminescence properties and the structural stability. In this work, a series of yellow-emitting Rb2−xCsxZrCl6:Te4+ solid solution phosphors were prepared by a hydrothermal method, and their broad emission is assigned to the triplet 3P1–1S0 self-trapped excitons (STEs). Upon increasing the alloying ion Cs+, the yellow emission can be greatly enhanced by a stronger Jahn–Teller distortion. Moreover, Cs2ZrCl6:Te4+ shows a high photoluminescence quantum yield (PLQY), and impressive thermal and anti-water stability. This doping–alloying strategy presents a new direction towards designing lead-free, high-performance and stable perovskite derivatives.
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Держатели документа:
Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Shenzhen Univ, Guangdong Res Ctr Interfacial Engn Funct Mat, Shenzhen Engn Lab Adv Technol Ceram, Shenzhen Key Lab Special Funct Mat,Coll Mat Sci &, Shenzhen 518060, Peoples R China.
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Доп.точки доступа:
Zhou, Jun; Rong, Ximing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Yulong; Yun, Xiangyan; Xu, Denghui; Li, Xiong; Beijing Natural Science FoundationBeijing Natural Science Foundation [2214068]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61705003]; Beijing Technology and Business University Research Team Construction Project [PXM2019_014213_000007, PXM2020_014213_000017]
}
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| 19.
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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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| 20.
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Analysis of epoxy functionalized layers synthesized by plasma polymerization of allyl glycidyl ether / A. Manakhov [et al.] // Phys. Chem. Chem. Phys. - 2018. - Vol. 20, Is. 30. - P. 20070-20077, DOI 10.1039/c8cp01452c. - Cited References: 32. - Authors gratefully acknowledge the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST ‘‘MISiS’’ (K4-2016-005), implemented by a governmental decree dated 16th of March 2013, N 211. Authors also acknowledge the project CEITEC 2020 (LQ1601) with financial support from the Ministry of Education, Youth and Sports of the Czech Republic (MEYS CR) under the National Sustainability Programme II. Part of the work was carried out with the support of CEITEC Nano Research Infrastructure (MEYS CR, 2016–2019). MM is a Brno PhD Talent scholarship holder – funded by Brno city municipality.
. - ISSN 1463-9076
Аннотация: The deposition of epoxide groups by plasma polymerization opens new horizons for robust and quick immobilization of biomolecules on any type of substrate. However, as of now there are just very few papers dealing with the deposition of epoxy layers by plasma polymerization, probably due to the high reactivity of this group leading to a low functionalization efficiency. In this work we carried out an extensive experimental and theoretical investigation of plasma synthesis of epoxide groups from a low pressure allyl glycydyl ether (AGE) plasma. The influence of composite parameter W/F and the working pressure on the density of epoxide groups and the layer stability was thoroughly addressed. It was found that by increasing the working pressure it is possible to sufficiently raise the concentration of epoxide groups. The composite parameter W/F was shown to be a crucial parameter in affecting the density of epoxides. An optimal value of W/F of around 2.3 eV per molecule leading to the highest density of epoxides produced in the process at 15 Pa was revealed through FT-IR and XPS findings. This value correlates well with the ab initio calculations suggesting that the lowest bond dissociation energy belongs to the C-O bond of the epoxide ring. Therefore, in order to increase the density of epoxides deposited by plasma polymerization, a precursor molecule containing at least two epoxide rings is strongly advised to be employed.
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Держатели документа:
National University of Science and Technology MISiS, Leninsky pr. 4, Moscow, Russian Federation
RG Plasma Technologies, CEITEC-Central European Institute of Technology, Masaryk University, Purkynova 123, Brno, Czech Republic
Department of Physical Electronics, Faculty of Science, Masaryk University, Kotlarska 2, Brno, Czech Republic
Materials Research and Technology Department, Luxembourg Institute of Science and Technology, 5 avenue des Hauts-Fourneaux, Esch-sur-Alzette, Luxembourg
Siberian Federal University, 79 Svobodny av., Krasnoyarsk, Russian Federation
Federal Research Center KSC SB RAS, 50/38 Akademgorodok, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Manakhov, A.; Fukova, S.; Necas, D.; Michlicek, M.; Ershov, S.; Elias, M.; Visotin, M. A.; Высотин, Максим Александрович; Popov, Z.; Zajickova, L.
}
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