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| 1. 
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Structural and electronic properties of the heterostructures based on Me2AlC-phase predicted by quantum chemistry calculations / F. N. Tomilin, V. Kozak, D. Ivanova [et al.] // International workshop on the properties of functional MAX-materials (2nd FunMax) : book of abstracts / org. com. M. Farle [et al.]. - 2021. - P. 49
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Доп.точки доступа:
Farle, M. \org. com.\; Ovchinnikov, S. G. \org. com.\; Овчинников, Сергей Геннадьевич; Tarasov, A. S. \org. com.\; Тарасов, Антон Сергеевич; Smolyarova, T. E. \org. com.\; Смолярова, Татьяна Евгеньевна; Tomilin, F. N.; Томилин, Феликс Николаевич; Kozak, V.; Ivanova, D.; Fedorova, N.; Shubin, A.; International workshop on functional MAX-materials(2 ; 2021 ; Sept. 14-17 ; Krasnoyarsk (on-line)); Kirensky Institute of Physics; Siberian Federal Univercity
}
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| 2.
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Dynamical immiscibility of aqueous carbonate fluid in the shortite-water system at high-pressure-temperature conditions / S. V. Goryainov, S. N. Krylova, U. O. Borodina, A. S. Krylov // J. Phys. Chem. C. - 2021. - Vol. 125, Is. 33. - P. 18501-18509, DOI 10.1021/acs.jpcc.1c05077. - Cited References: 47. - The reported study was funded by the RFBR and DFG, project number 21-52-12018. Work is done on the state assignment of the Sobolev Institute of Geology and Mineralogy, Kirensky Institute of Physics SB RAS, Equipment of Federal Research Center of Krasnoyarsk Science Center SB RAS, and supported by the Ministry of Science and Higher Education. Authors thank A.N. Vtyurin, A.G. Sokol, A.Yu. Likhacheva, and A.F. Shatskiy for fruitful discussion
. - ISSN 1932-7447. - ISSN 1932-7455РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
SIMULTANEOUSLY HIGH-PRESSURE
SODIUM FORMATE
RAMAN-SPECTRA
Аннотация: Anhydrous carbonate shortite, Na2Ca2(CO3)3, compressed in water at high pressure–temperature (up to 5 GPa, 350 °C) was studied by Raman spectroscopy. At 3.2 GPa and 250 °C, shortite begins to dissolve, followed by crystallization of aragonite and aragonite’. The unusual behavior of aqueous carbonate fluid was observed at 4.8 GPa and 300–350 °C. This process is characterized by the active formation of microbubbles within 2–60 s that are inserted one into another. Microbubbles are considered to be a result of the two immiscible fluid stratification. This dynamical immiscibility of the fluid accompanies the appearance of several crystalline carbonates and organic molecular crystals. Na-formate and some polymorphs of Ca-formate were observed.
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Держатели документа:
Sobolev Inst Geol & Mineral SB RAS, Novosibirsk 630090, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Goryainov, Sergey, V; Krylova, S. N.; Крылова, Светлана Николаевна; Borodina, Ulyana O.; Krylov, A. S.; Крылов, Александр Сергеевич; RFBRRussian Foundation for Basic Research (RFBR); DFGGerman Research Foundation (DFG)European Commission [21-52-12018]; Ministry of Science and Higher EducationMinistry of Science and Higher Education, PolandEuropean Commission
}
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| 3.
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Synthesis, crystal structures, and properties of new acentric glaserite-related compounds Rb7Ag5–3xSc2+x(XO4)9 (X = Mo, W) / T. S. Spiridonova, S. F. Solodovnikov, M. S. Molokeev [et al.] // J. Solid State Chem. - 2022. - Vol. 305. - Ст. 122638, DOI 10.1016/j.jssc.2021.122638. - Cited References: 71. - This research was supported by the Ministry of Science and Higher Education of the Russian Federation , projects No. 0273-2021-0008 (Baikal Institute of Nature Management, SB RAS), and No. 121031700313-8 (Nikolaev Institute of Inorganic Chemistry, SB RAS), as well as partial financial support from the Russian Foundation for Basic Research (project No. № 20-03-00533)
. - ISSN 0022-4596
Перевод заглавия: Синтез, кристаллическая структура и свойства новых ацентрических соединений Rb7Ag5–3xSc2+x(XO4)9 (X = Mo, W), родственных глазериту
Кл.слова (ненормированные):
Rubidium -- Silver -- Scandium -- Triple molybdate -- Triple tungstate -- Phase equilibria -- Synthesis -- Crystal structure -- Ionic conductivity
Аннотация: The subsolidus phase equilibria in the system Ag2MoO4–Rb2MoO4–Sc2(MoO4)3 were studied and two new triple molybdates, Rb9Ag3Sc2(MoO4)9 and Rb7Ag5Sc2(MoO4)9, were found. The structures of Rb7Ag5Sc2(MoO4)9 and isostructural Rb7Ag5Sc2(WO4)9 of the Cs7Na5Yb2(MoO4)9 type (the space group R32) were determined. The found composition of the triple tungstate crystal, Rb7Ag4.61Sc2.13(WO4)9, indicates a non-stoichiometric compound formula, Rb7Ag5–3xSc2+x(WO4)9. Both structures have one incompletely occupied Ag site, and structure Rb7Ag4.61Sc2.13(WO4)9 also contains two positions with mixed Ag and Sc. Both compounds contain ‘lanterns’ [M2(XO4)9] (M = (Sc, Ag), Sc; X = Mo, W), which are strengthened by three AgO2 dumbbells to give isolated building blocks [Ag3M2(XO4)9] forming two-story hexagonal layers resembling the structure of glaserite K3Na(SO4)2. Similar layers of [Ag3Sc2(WO4)9]9− building blocks were also found by us in the structure of Rb9–xAg3+xSc2(WO4)9, which is close to that of Rb9Ag3Sc2(MoO4)9. Similar layers of the [M2(TO4)9] units were also observed in Cs7Na5Yb2(MoO4)9 and Na13Sr2Ta2(PO4)9. The title compounds belong to the series of rhombohedral triple molybdates and tungstates with a ≈ 9–10 Å and large c-periods (more than 20 Å), which have layered or open 3D framework structures. Like many compounds of this series, Rb7Ag5Sc2(XO4)9 (Х = W, Mo) at elevated temperatures have significant ionic conductivity reaching values 6.1·10−3 S cm−1 at 703 K (X = Mo) and 1.4·10−3 S cm−1 at 733 K (X = W) with Еа = 0.7 eV and 0.6 eV, respectively.
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Держатели документа:
Baikal Institute of Nature Management, Siberian Branch, Russian Academy of Sciences, Sakh'yanova St. 6, Buryat Republic, Ulan-Ude, 670047, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Akad. Lavrentyev Ave. 3, Novosibirsk630090, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 bld.38, Krasnoyarsk, 660036, Russian Federation
Kemerovo State University, Krasnaya St., 6, Kemerovo, 650000, Russian Federation
Skolkovo Institute of Science and Technology, Moscow121205, Russian Federation
Доп.точки доступа:
Spiridonova, T. S.; Solodovnikov, S. F.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Solodovnikova, Z. A.; Savina, A. A.; Kadyrova, Y. M.; Sukhikh, A. S.; Kovtunets, E. V.; Khaikina, E. G.
}
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| 4.
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In situ X-ray diffraction study of chrysotile at high P–T conditions: transformation to the 3.65 Å phase / S. V. Goryainov, J. S. Tse, S. Desgreniers [et al.] // Phys. Chem. Miner. - 2021. - Vol. 48, Is. 10. - Ст. 36, DOI 10.1007/s00269-021-01160-8. - Cited References: 68. - This work was performed under the auspicious of the state assignment of IGM SB RAS supported by Ministry of Science and Higher Education of the Russian Federation. The Russian Foundation for Basic Research (project no.21-55-14001) is gratefully acknowledged. Authors thank S.V. Rashchenko for fruitful discussion on XRD diffraction patterns of the talc-water system. We thank SPring-8 Synchrotron Radiation Facilities and BLXU-10 beamline for providing the synchrotron beam-time. JST, SD and YP would like to thank Natural Science and Engineering Council Canada for the award of individual Discovery Grants
. - ISSN 0342-1791. - ISSN 1432-2021
Перевод заглавия: Рентгеноструктурное исследование хризотила в условиях высоких P – T: превращение в фазу 3,65 ÅРУБ Materials Science, Multidisciplinary + Mineralogy
Рубрики:
HIGH-PRESSURE STABILITY
HYDROUS MAGNESIUM SILICATES
SYSTEM MGO-SIO2-H2O MSH
Кл.слова (ненормированные):
Chrysotile -- Serpentine -- High pressure -- High temperature -- X-ray diffraction -- Synchrotron radiation
Аннотация: The behavior of chrysotile Mg3(Si2O5)(OH)4 in water medium at simultaneously high pressure and high temperature was studied by in situ synchrotron X-ray diffraction using a diamond anvil cell. In contrast to previous ‘dry’ experiments, chrysotile in water-saturated conditions undergoes two-phase transitions and exhibits higher thermal stability. At 260 °C / 3.7 GPa the initial chrysotile (phase I) transforms to the ‘chrysotile-like’ phase II, followed by the appearance of the ‘chrysotile-like’ phase III at 405 °C / 5.25 GPa. Phase III is characterized by enlarged interlayer distances, presumably resulting from the H2O intercalation into the interlayer space. During further compression, the ‘chrysotile-like’ phase III is decomposed to the 10 Å phase Mg3(Si4O10)(OH)2·xH2O, the 3.65 Å phase MgSi(OH)6, phase D, forsterite, enstatite and coesite or stishovite. The 3.65 Å phase appears at 8.8 GPa / 500 °C. The series of transformations leads to a water deficiency in the system, restricting the complete transformation from the 10 Å phase to the 3.65 Å phase. These data emphasize the crucial role of excess water in the stabilization of the high-pressure hydrous phases. The present study is the first in situ observation of sequential transformations of hydrous phases: serpentine → 10 Å phase → 3.65 Å phase, important as a potential water transport mechanism to the deep mantle.
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Держатели документа:
Russian Acad Sci, Sobolev Inst Geol & Mineral, Siberian Branch, Pr Koptyug 3, Novosibirsk 630090, Russia.
Univ Saskatchewan, Dept Phys, 116 Sci Pl, Saskatoon, SK S7N 5B2, Canada.
Univ Ottawa, Dept Phys, 150 Louis Pasteur, Ottawa, ON K1N 6N5, Canada.
Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan.
Univ Saskatchewan, Dept Geol Sci, 114 Sci Pl, Saskatoon, SK S7N 5E2, Canada.
Novosibirsk State Univ, Pirogov Str 1, Novosibirsk 630090, Russia.
FRC KSC SB RAS, Lab Crystal Phys, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Доп.точки доступа:
Goryainov, Sergey, V; Tse, John S.; Desgreniers, Serge; Kawaguchi, Saori, I; Pan, Yuanming; Likhacheva, Anna Yu; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ministry of Science and Higher Education of the Russian Federation; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [21-55-14001]; Natural Science and Engineering Council CanadaNatural Sciences and Engineering Research Council of Canada (NSERC)
}
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| 5.
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The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides / I. Yushina, A. Krylov, I. I. Leonidov [et al.] // Acta Crystallogr. B. - 2021. - Vol. 77. - P. 526-536, DOI 10.1107/S2052520621004571. - Cited References: 61. - This work was supported by the Ministry of Science and High Education of Russian Federation, project FENU 2020-0019. Additional spectroscopic studies were carried out in ISSC UB RAS (Research Program No. AAAA-A19-119031890025-9). Technical assistance from Ivan D. Popov (ISSC UB RAS) is strongly acknowledged. ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357
. - ISSN 2052-5206РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LARGE STOKES SHIFT
D-PI-A
HALOGEN BONDS
ELECTRON LOCALIZATION
Кл.слова (ненормированные):
organic monoiodide -- phase transition -- Raman spectroscopy -- luminescence -- halogen bond
Аннотация: Crystalline chalcogenazinoquinolinium monoiodides, where the chalcogen atom is oxygen and sulfur, were studied using a combination of X-ray diffraction, Raman and UV-vis spectroscopies and photoluminescence experimental techniques. Periodic quantum-chemical calculations were performed to characterize the features of electronic structure and vibrational assignment. X-ray diffraction and Raman spectroscopy experiments consistently reveal phase transition of thiazinoquinolinium monoiodide at low temperatures with the decrease of symmetry to P1. The luminescence study for oxazinoquinolinium monoiodide reveals the excitation maximum at 532 nm and emission at 650 nm with significantly higher intensity than for the thiazinoquinolinium derivative. The studied chalcogenazinoquinolinium monoiodides demonstrate high values of Stokes shift up to 150 nm.
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Держатели документа:
South Ural State Univ, Lab Multiscale Modelling, Chelyabinsk 454080, Russia.
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia.
Inst Solid State Chem UB RAS, Ekaterinburg 620990, Russia.
Univ Chicago, Chicago, IL 60637 USA.
AN Nesmeyanov Inst Organoelement Cpds RAS, Moscow 11991, Russia.
Доп.точки доступа:
Yushina, I.; Krylov, A. S.; Крылов, Александр Сергеевич; Leonidov, I. I.; Batalov, V.; Chen, Y. S.; Wang, S. G.; Stash, A.; Bartashevich, E. V.; Ministry of Science and High Education of Russian Federation [FENU 2020-0019]; ISSC UB RAS [AAAA-A19-119031890025-9]; Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; US DOEUnited States Department of Energy (DOE) [DE-AC02-06CH11357]
}
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| 6.
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CaY2Al4SiO12:Ce3+,Mn2+: a single component phosphor to produce high color rendering index WLEDs with a blue chip / Q. H. Zhang, J. H. Li, W. Jiang [et al.] // J. Mater. Chem. C. - 2021. - Vol. 9, Is. 34. - P. 11292-11298, DOI 10.1039/d1tc01770e. - Cited References: 35. - This work has been financially supported by the National Nature Science Foundation of China (51902063, 51902354, U1801253), the Science and Technology Project of Guangdong Province (2018A050506061), the Science and Technology Project of Guangzhou City (202007020005, 202007020008) and GDAS' Project of Science and Technology Development (2020GDASYL-20200302010, 2018GDASCX-0110). M. G. Brik also thanks the support from the Chongqing Recruitment Program for 100 Overseas Innovative Talents (Grant No. 2015013), the Program for the Foreign Experts (Grant No. W2017011) and Wenfeng High-End Talents Project (Grant No. W2016-01) offered by Chongqing University of Posts and Telecommunications (CQUPT), Estonian Research Council grant PUT PRG111, European Regional Development Fund (TK141) and NCN project 2018/31/B/ST4/00924
. - ISSN 2050-7526. - ISSN 2050-7534РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
GARNET PHOSPHOR
ENERGY-TRANSFER
RED EMISSION
LUMINESCENCE PROPERTIES
Аннотация: A high color rendering index white light emitting diode (WLED) is generally produced by combining yellow and red mixed phosphors on a blue chip. Herein we report a single component phosphor based on CaY2Al4SiO12 (CYAS) to achieve warm white light emission with a high color rendering index (Ra), which can be up to 90.5. Ce3+, Mn2+ singly doped and co-doped CYAS phosphors have been synthesized by solid state reactions, respectively, for comparative investigations. The Rietveld X-ray diffraction (XRD) refinements show that the CYAS host crystallizes in a cubic structure with the Ia[3 with combining macron]d space group. The valence states of Ce and Mn inside the CYAS host have been confirmed by XPS and EPR. Ce3+ occupies the Ca2+/Y3+ site and generates a yellow emission band around 543 nm from its characteristic 5d–4f transition. Mn2+ occupies both the dodecahedron Ca2+/Y3+ and octahedral Al3+ sites, emitting red and deep red lights at 616 nm and 750 nm, respectively. These two emission bands are attributed to the 4T1(4G)–6A1(6S) transitions of Mn2+. Upon 460 nm light excitation, both the Ce3+ and Mn2+ characteristic emissions can be obtained, in which the emissions of Mn2+ result from the occurrence of energy transfer from Ce3+ in CYAS. All the results indicate that the prepared CYAS:Ce3+,Mn2+ could be a promising single component phosphor for blue chip WLEDs.
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Держатели документа:
Guangdong Acad Sci, Inst Rare Met, Guangdong Prov Key Lab Rare Earth Dev & Applicat, Guangzhou 510651, Peoples R China.
Chongqing Univ Posts & Telecommun, Coll Sci, Chongqing 400065, Peoples R China.
Chongqing Univ Posts & Telecommun, CQUPT BUL Innovat Inst, Chongqing 400065, Peoples R China.
Univ Tartu, Inst Phys, W Ostwald Str 1, EE-50411 Tartu, Estonia.
Jan Dlugosz Univ, Fac Sci & Technol, Armii Krajowej 13-15, PL-42200 Czestochowa, Poland.
RAS, Fed Res Ctr, KSC SB, 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.
Sun Yat Sen Univ, Sch Marine Sci, Zhuhai 510275, Peoples R China.
Доп.точки доступа:
Zhang, Qiuhong; Li, Junhao; Jiang, Wei; Lin, Litian; Ding, Jianhong; Brik, Mikhail G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ni, Haiyong; Wu, Mingmei
}
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| 7.
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Synthesis, crystal structure, and the optical and thermodynamic properties of PrAlGe2O7 / L. A. Irtyugo, L. T. Denisova, M. S. Molokeev [et al.] // Russ. J. Phys. Chem. A. - 2021. - Vol. 95, Is. 8. - P. 1546-1550, DOI 10.1134/S0036024421080124. - Cited References: 23
. - ISSN 0036-0244. - ISSN 1531-863XРУБ Chemistry, Physical
Рубрики:
TEMPERATURE HEAT-CAPACITY
GERMANATES
SMFEGE2O7
PR
Кл.слова (ненормированные):
PrAlGe2O7 -- complex oxide compounds -- solid-state synthesis -- crystal structure -- luminescence -- heat capacity -- thermodynamic properties
Аннотация: Germanate PrAlGe2O7 is obtained from initial oxides Pr2O3, Al2O3, and GeO2 via solid-phase synthesis. The crystal structure of the investigated germanate is determined via X-ray diffraction. The luminescence spectra are been determined at room temperature. The effect temperature has on the heat capacity is determined via differential scanning calorimetry. The thermodynamic properties of the complex oxide compound are calculated using the experimental data on Cp = f(T) in the temperature range of 350‒1000 K.
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Публикация на русском языке Синтез, кристаллическая структура, оптические и термодинамические свойства PrAlGe2O7 [Текст] / Л. А. Иртюго, Л. Т. Денисова, М. С. Молокеев [и др.] // Журн. физ. химии. - 2021. - Т. 95 № 8. - С. 1165-1170
Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Irtyugo, L. A.; Denisova, L. T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Denisov, V. M.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Beletskii, V. V.; Sivkova, E. Yu
}
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| 8.
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Evolution of structural, thermal, optical, and vibrational properties of Sc2S3, ScCuS2, and BaScCuS3 semiconductors / N. O. Azarapin, A. S. Oreshonkov, I. A. Razumkova [et al.] // Eur. J. Inorg. Chem. - 2021. - Vol. 2021, Is. 33. - P. 3355-3366, DOI 10.1002/ejic.202100292. - Cited References: 50. - The work was partially carried out using the resources of the Research Resource Center "Natural Resources Management and Physico-Chemical Research" (Tyumen University) with financial support from the Ministry of Science and Higher Education of the Russian Federation (contract No. 05.594.21.0019, UIN RFMEFI59420X0019). The Raman spectroscopic studies were carried out at the collaborative research center for vibrational spectroscopy at ISSC UB RAS (Ekaterinburg, Russia). I.I.L. would like to acknowledge the support from the Research Program No. AAAA-A19-119031890025-9 (ISSC UB RAS). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center "Krasnoyarsk Science Center SB RAS" is acknowledged." The authors are grateful to Dr. Elena V. Vladimirova (ISSC UB RAS) for technical assistance
. - ISSN 1434-1948. - ISSN 1099-0682РУБ Chemistry, Inorganic & Nuclear
Рубрики:
RARE-EARTH
QUATERNARY CHALCOGENIDES
CRYSTAL-STRUCTURES
Кл.слова (ненормированные):
Complex sulfides -- Density functional calculations -- DTA -- Polychalcogenides -- Rare earths
Аннотация: In the present work, we report on the synthesis of Sc2S3, ScCuS2 and BaScCuS3 powders using a method based on oxides sulfidation and modification of their properties. The crystal structures and morphology of samples are verified by XRD and SEM techniques. Thermal stability has been studied by DTA which has revealed that Sc2S3 decomposes to ScS through melting at 1877 K. ScCuS2 and BaScCuS3 melt incongruently at temperatures of 1618 K and 1535 K, respectively. The electronic structure calculations show that the investigated compounds are semiconductors with indirect band gap (Eg). According to the diffuse reflection spectroscopy, Sc2S3, ScCuS2 and BaScCuS3 are wide-bandgap semiconductors featured the Eg values of 2.53 eV, 2.05 eV and 2.06 eV, respectively. The band gap decreases with the introduction of copper (I) and barium cations into the crystal structure of the compounds. Variation of local structure has been verified by Raman and infrared spectroscopy. The calculated vibrational modes of ScCuS2 correspond to CuS4 and Sc−S layer vibrations, even though ScS6 octahedra-like structural units can be found in the structure.
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Держатели документа:
Tyumen State Univ, Dept Inorgan & Phys Chem, Tyumen 625003, Russia.
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Lab Mol Spect, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia.
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
RAS, Fed Res Ctr KSC SB, Inst Chem & Chem Technol, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg 620990, Russia.
Доп.точки доступа:
Azarapin, N. O.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Razumkova, I. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Maximov, N. G.; Leonidov, I. I.; Shestakov, N. P.; Шестаков, Николай Петрович; Andreev, O. V.; Ministry of Science and Higher Education of the Russian Federation [05.594.21.0019, UIN RFME-FI59420X0019]; ISSC UB RAS [AAAA-A19-119031890025-9]
}
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| 9.
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Complex of Ca(II) with ceftriaxone: Synthesis, structure, spectral and antibacterial properties / G. V. Novikova, D. I. Tsyplenkova, A. A. Kuzubov [и др.] // J. Sib. Fed. Univ. Chem. - 2021. - Vol. 14, Is. 3. - P. 290-301 ; Журн. СФУ. Химия, DOI 10.17516/1998-2836-0238. - Cited References: 39. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-43-240007
. - ISSN 1998-2836. - ISSN 2313-6049
Перевод заглавия: Комплекс Ca(II) с цефтриаксоном: синтез, структура, спектральные и антибактериальные свойстваРУБ Chemistry, Multidisciplinary
Рубрики:
BASIS-SETS
ALGORITHM
1ST-ROW
CALCIUM
Кл.слова (ненормированные):
ceftriaxone -- calcium -- DFT -- IR spectroscopy -- luminescence properties -- antibacterial screening -- цефтриаксон -- кальций -- теория функционала плотности -- ИК-спектроскопия -- люминесцентные свойства -- антибактериальный скрининг
Аннотация: The calcium complex of ceftriaxone was synthesized and characterized by elemental, atomic-emission analysis, TGA, IR spectroscopy and density functional theory calculations. The luminescence and antibacterial properties of the ceftriaxone disodium and calcium complex wcrc investigated. Ca(II) complex was obtained in a crystalline form, cell parameters of the compound were determined. Ceftriaxone was coordinated to the calcium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and the oxygens of the lactam carbonyl and carboxylate groups. The complex of Ca(II) with ceftriaxone was screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa, and the results were compared with the activity of ceftriaxone disodium salt.
Кальциевый комплекс цефтриаксона был синтезирован и охарактеризован с помощью элементного, атомно-эмиссионного анализа, ТГА, ИК‑спектроскопии и расчетов теории функционала плотности. Исследованы люминесцентные и антибактериальные свойства динатриевой соли цефтриаксона и комплекса цефтриаксона с кальцием. Комплекс Ca(II) получен в кристаллическом виде, определены параметры кристаллической решетки соединения. Цефтриаксон координировался к иону кальция через атом кислорода триазинового цикла в 6-м положении, атом азота аминогруппы тиазольного кольца и атомами кислорода карбонильной и карбоксилатной групп. Комплекс Са(II) с цефтриаксоном обладает антибактериальной активностью против Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa, полученные результаты сравнивали с активностью динатриевой соли цефтриаксона.
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Держатели документа:
Siberian Fed Univ, Sch Nonferrous Met & Mat Sci, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, LV Kirensky Inst Phys SB RAS, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Sci Res Inst Med Problems North, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Inst Chem & Chem Technol SB RAS, Krasnoyarsk, Russia.
Доп.точки доступа:
Novikova, Galina, V; Tsyplenkova, Darya, I; Kuzubov, A. A.; Кузубов, Александр Александрович; Kolenchukova, Oksana A.; Samoilo, Alexander S.; Vorobyev, Sergey A.; RFBR, Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [20-43-240007]
}
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| 10.
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Synthesis, crystal structure, and thermodynamic properties of CuSm2Ge2O8 / L. T. Denisova, M. S. Molokeev, Y. F. Kargin [et al.] // Russ. J. Inorg. Chem. - 2021. - Vol. 66, Is. 12. - P. 1817-1821, DOI 10.1134/S0036023621120020. - Cited References: 30. - This work was carried out with partial financial support within the framework of the State assignment for science of the Siberian Federal University, project number FSRZ2020-0013
. - ISSN 0036-0236. - ISSN 1531-8613РУБ Chemistry, Inorganic & Nuclear
Рубрики:
TEMPERATURE HEAT-CAPACITY
CU-O
PREDICTION
GERMANATES
GROWTH
Кл.слова (ненормированные):
copper samarium germanate -- crystal structure -- high-temperature heat capacity -- thermodynamic functions
Аннотация: Copper samarium germanate CuSm2Ge2O8 have been synthesized by the ceramic method from CuO, Sm2O3, and GeO2 in air at the final calcination temperature 1273 K (200 h), and its crystal structure has been determined (space group Cm; a = 9.7592(2) Å, b = 15.2608(4) Å, c = 8.2502(2) Å, β = 148.2566(8)°, V = 646.46(3) Å3). The temperature dependence of the molar heat capacity Cp = f(T) measured in the temperature range 350–1000 K shows a maximum at Tmax = 498.5 K caused by the phase transition. Thermodynamic properties have been calculated from experimental data.
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Публикация на русском языке Синтез, кристаллическая структура и термодинамические свойства CuSm2Ge2O8 [Текст] / Л. Т. Денисова, М. С. Молокеев, Ю. Ф. Каргин [и др.] // Журн. неорг. химии. - 2021. - Т. 66 № 12. - С. 1700-1705
Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Baikov Inst Met & Mat Sci, Moscow 119991, Russia.
Доп.точки доступа:
Denisova, L. T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kargin, Yu F.; Irtyugo, L. A.; Belousova, N., V; Denisov, V. M.; Siberian Federal University [FSRZ2020-0013]
}
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| 11.
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Temperature dependent structural, dielectric, Raman, piezoresponse and photoluminescence investigations in sol-gel derived BCZT ceramics / I. Coondoo, A. Krylov, D. K. Sharma [et al.] // Mater. Chem. Phys. - 2022. - Vol. 277. - Ст. 125526, DOI 10.1016/j.matchemphys.2021.125526. - Cited References: 82. - I.C. and J.S.K would like to acknowledge financial assistance by national funds (OE), through FCT – Fundação para a Ciência e a Tecnologia, I.P., in the scope of the framework contract foreseen in the numbers 4, 5 and 6 of the article 23, of the Decree-Law 57/2016, of August 29, changed by Law 57/2017, of July 19. This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020, financed by national funds through the FCT/MCTES. This work was partially developed within the scope of the project i3N, UIDB/50025/2020 & UIDP/50025/2020, financed by national funds through the FCT/MEC. Part of this work (A.K.) was supported by the Ministry of Science and Higher Education of the Russian Federation (grant no. 075-15-2021-588). This research used resources of the Ural Center for Shared Use “Modern nanotechnology”, Ural federal University, Russia and the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”. The authors thank Dr. Gonzalo Irurueta, Center for Mechanical Engineering and Automation, University of Aveiro, Portugal and Dr. E. Venkata Ramana, Department of Physics, University of Aveiro, Portugal
. - ISSN 0254-0584
Кл.слова (ненормированные):
Lead-free piezoelectrics -- Sol-gel -- Phase transitions -- Raman spectroscopy -- PFM -- Photoluminescence
Аннотация: 0.5Ba(Ti0.8Zr0.2)O3-0.5(Ba0.7Ca0.3)TiO3 [50BZT-50BCT or BCZT] based compounds have been the focus of a lot of research, particularly motivated by their high piezoelectric effect. However, the literature lacks an elaborate investigation of the phase transition behavior in BCZT ceramics obtained by wet chemistry processing. Here, we present an in-depth study on the temperature dependence of x-ray diffraction (XRD), Raman scattering, dielectric properties, local piezoresponse and photoluminescence (PL) to investigate the sequence of phase transitions in the BCZT ceramic synthesized via a chemical route. Phase formation was determined by Rietveld analysis of XRD data, while compositional homogeneity and elemental quantification of the compound was validated using energy dispersive x-ray spectroscopy (EDX) and x-ray photoelectron spectroscopy (XPS) studies. Detailed fitting of XPS data indicated the existence of Ti3+ species (∼6%) in the prepared BCZT. Phase transitions were examined by analyzing the modifications in the XRD profile of Bragg reflection {200} and anomalies observed in the temperature variation of dielectric and Raman spectra studied over a wide temperature range starting from 10K to beyond Curie temperature. Crystallographic transformation temperatures obtained from dielectric measurement agreed well with those assessed from the temperature evolution of Raman spectra. In addition to other transitions, Raman scattering results revealed the existence of a transition from to phase near −175 °C, a transition that has not been interpreted in BCZT (and generally not observed in parent BaTiO3 compound). The luminescence response was studied by photoluminescence (PL) spectroscopy in the temperature range 15–300 K. The position of the PL peak was observed to shift with temperature and discontinuities in the wavelength shift were noted near phase transitions. Evolution of domain morphology with temperature was examined by piezoresponse force microscopy technique. Consolidated results assign the phase sequence in sol-gel derived BCZT as: R(R3c)→-175±10°CR(R3m)→-50±10°CO→40±10°CT→120±10°CC.
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Department of Physics & CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, Portugal
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
DEMaC & CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, Portugal
School of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, 620026, Russian Federation
I3N-Aveiro, Department of Physics, University of Aveiro, Aveiro, 3810-193, Portugal
Physical Materials Science and Composite Materials Centre, Research School of Chemistry & Applied Biomedical Sciences, National Research Tomsk Polytechnic University, Tomsk, 634050, Russian Federation
Доп.точки доступа:
Coondoo, I.; Krylov, A. S.; Крылов, Александр Сергеевич; Sharma, D. K.; Krylova, S. N.; Крылова, Светлана Николаевна; Alikin, D.; Kumar, J. S.; Mirzorakhimov, A.; Melnikova, N.; Soares, M. J.; Kholkin, A. L.
}
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| 12.
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Unveiling white light emission of a one-dimensional Cu(I)-based organometallic halide toward single-phase light-emitting diode applications / J. Huang, Y. Peng, J. Jin [et al.] // J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 51. - P. 12345-12351, DOI 10.1021/acs.jpclett.1c03767. - Cited References: 35. - This work was supported by the National Natural Science Foundation of China (51961145101 and 51972118) , the International Cooperation Project of National Key Research and Development Program of China (2021YFE0105700) , the Guangzhou Science and Technology Project (202007020005) , and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137) . This work was also funded by RFBR according to the research project No. 19-52-80003
. - ISSN 1948-7185
Перевод заглавия: Открытие белого излучения в одномерном металлоорганическом галогениде на основе Cu (I) для светоизлучающих диодов с однокомпонентным люминофором
Аннотация: Luminescent organometallic halide crystals, especially with single-component white emission, are urgently needed for light-emitting diode (LED) applications. Barriers for the applications, however, lie in their lead toxicity, poor stability, and low photoluminescence quantum yield (PLQY). Here, a one-dimensional Cu(I)-based hybrid metal halide (C12H24O6)CsCu2Br3 is designed and prepared via a simple solution method. Upon 365 nm excitation, a broad-band white light emission centered at 535 nm with a full width at half maximum of 186 nm and a PLQY of 78.3% is monitored. The experimental results together with calculation data indicate that the existence of the split peaks at 486 and 570 nm at a low temperature is attributed to the decrease of energy level degeneracy by virtue of the lattice distortion. Moreover, the stability along with the good device performance of the as-fabricated white LED was also discussed. The results demonstrate that (C12H24O6)CsCu2Br3 is highly competitive in lighting application, and it can further enable breakthrough material design for new luminescent organometallic halides.
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South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangdong Prov Key Lab Fiber Laser Mat & Appl Tec, Sch Mat Sci & Engn, Guangzhou 510641, Guangdong, Peoples R China.
South China Univ Technol, Dept Phys, Guangzhou 510640, Guangdong, Peoples R China.
Russian Acad Sci, Lab Crystal Phys, Kirensky Inst Phys, Fed Res Ctr,Krasnoyarsk Sci Ctr,Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Доп.точки доступа:
Huang, J.; Peng, Y.; Jin, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yang, X.; Xia, Z.
}
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| 13.
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Low-wavenumber vibrational spectroscopy study of the metal-organic frameworks DUT-8 / S. N. Krylova, A. S. Krylov, I. Senkovska [et al.] // MOFs for energy and the environment : Faraday discussion. - 2021. - Ст. P27
Перевод заглавия: Исследования низкочастотных колебательных спектров металлоорганических каркасных систем DUT-8
Материалы конференции,
Материалы конференции,
Материалы конференции,
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Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Krylov, A. S.; Крылов, Александр Сергеевич; Senkovska, I.; Kaskel, S.; Slysareva, E. A.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Royal Society of Chemistry; MOFs for energy and the environment Faraday Discussion(2021 ; June 23-25 ; United Kingdom (online))
}
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| 14.
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Synthesis, phase purification and magnetic characterization of the (Cr1−x, Mnx)2AlC MAX-phase / K. Sobolev, H. Pazniak, M. Farle [et al.] // J. Mater. Chem. C. - 2021. - Vol. 9, Is. 46. - P. 16516-16522, DOI 10.1039/d1tc03092b. - Cited References: 36. - This work was supported by the Deutsche Forschungsgemeinschaft (DFG) within CRC/TRR 270, project B02 (Project-ID 405553726). K. S. acknowledges German-Russian Interdisciplinary Science Center (G-RISC) for the provided mobility grant that supported the present work. K. S. also acknowledges 5 top 100 Academic Excellence Project of the Russian Ministry of Science and Higher Education for the provided financial support. M. F. acknowledges co-funding by the government of the Russian Federation (agreement No. 075-15-2019-1886)
. - ISSN 2050-7526. - ISSN 2050-7534РУБ Materials Science, Multidisciplinary + Physics, Applied
Аннотация: The Cr2AlC MAX phase is a promising parent compound to introduce magnetism to nano-laminated ternary carbides by doping with Mn. Here, we demonstrate that Mn doping of bulk Cr2AlC powder synthesized by arc melting results in incorporation up to 16 at% Mn in the M-layers of the MAX phase. Simultaneously, the relative amount of secondary phases is overall low, however, increases with Mn doping. We successfully applied chemical treatment in dilute hydrochloric acid to eliminate secondary phases and studied the magnetic properties before and after treatment by magnetometry between 3 K and 800 K. All MAX-phases show a paramagnetic response.
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Держатели документа:
Immanuel Kant Baltic Fed Univ, Kaliningrad 236041, Russia.
Univ Duisburg Essen, Fac Phys, D-47057 Duisburg, Germany.
Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, D-47057 Duisburg, Germany.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Sobolev, Kirill; Pazniak, Hanna; Farle, M.; Фарле, Михаель; Rodionova, Valeria; Wiedwald, Ulf; Deutsche Forschungsgemeinschaft (DFG)German Research Foundation (DFG) [CRC/TRR 270, 405553726]; German-Russian Interdisciplinary Science Center (G-RISC); 5 top 100 Academic Excellence Project of the Russian Ministry of Science and Higher Education; government of the Russian Federation [075-15-2019-1886]
}
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| 15.
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Синтез и фотоэлектрокаталитическая активность анодных наноструктурированных TiO2 пленок / Н. А. Зосько, Т. А. Кенова, А. С. Александровский [и др.] // Журн. СФУ. Химия. - 2021. - Т. 14, № 3. - С. 396-405 ; J. Sib. Fed. Univ. Chem., DOI 10.17516/1998-2836-0249. - Библиогр.: 25. - Работа выполнена в рамках государственного задания ФИЦ КНЦ СО РАН (проект 0287-2021-0023) с использованием оборудования Красноярского регионального центра коллективного пользования ФИЦ КНЦ СО РАН. Авторы выражают признательность Н. Г. Максимову за снятие диффузных спектров отражения и В. Ф. Шабанову за плодотворную дискуссию
. - ISSN 1998-2836. - ISSN 2313-6049
Перевод заглавия: Synthesis and Photoelectrocatalytic Activity of Anodic Nanostructured TiO2 Films
Кл.слова (ненормированные):
фотоэлектрокаталитическая активность -- TiO2 нанотрубки -- анодное окисление -- морфология поверхности -- катодное осаждение -- Cu2O -- photoelectrocatalytic activity -- TiO2 nanotubes -- anodic oxidation -- structure morphology -- electrodeposition -- Cu2O
Аннотация: Методом электрохимического окисления получены наноструктурированные пленки диоксида титана, исследовано влияние напряжения анодирования на морфологию поверхности, оптические и фотоэлектрокаталитические характеристики полученных нанотрубок. Показано, что напряжение анодирования оказывает существенное влияние на структуру нанопленок и, соответственно, на их фотоэлектрокаталитическую активность. Методом катодного осаждения Cu2O на анодированный TiO2 получен фотоанод с гетеропереходом. Установлено, что фотоэлектроактивность такого анода при потенциале 1В (отн. Ag/AgCl/3,5MKCl) на 15% выше, чем активность исходной наноструктурированной TiO2 пленки.
Nanostructured titanium dioxide films were prepared by electrochemical oxidation technique, anodization voltage effect on structure morphology, optical and photoelectrocatalytic performances of the nanotubes were studied. The anodization voltage is shown to significantly affect structure of nanofilms and, accordingly, their photoelectrocatalytic activity. An active heterojunction photoanode was synthesised with electrode position of Cu2O onanodized TiO2. The anode photoelectroact ivity under bias 1V (Ag/AgCl/3,5M KCl) is found to be 15 % higher than that of the original nanostructured TiO2 film.
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Институт химии и химической технологии ФИЦ КНЦ СО РАН, Российская Федерация, Красноярск
Институт физики им. Л. В. Киренского ФИЦ КНЦ СО РАН, Российская Федерация, Красноярск
Сибирский федеральный университет, Российская Федерация, Красноярск
Доп.точки доступа:
Зосько, Н. А.; Кенова, Т. А.; Александровский, Александр Сергеевич; Aleksandrovsky, A. S.; Жижаев, А. М.; Таран, О. П.; [02872021-0023]
}
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| 16.
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The effect of the composition and pressure on the phase stability and electronic, magnetic, and elastic properties of M2AX (M = Mn, Fe; A = Al, Ga, Si, Ge; X = C, N) phases / V. S. Zhandun, N. G. Zamkova, O. N. Draganyuk [et al.] // Phys. Chem. Chem. Phys. - 2021. - Vol. 23, Is. 46. - P. 26376-26384, DOI 10.1039/d1cp03427h. - Cited References: 40. - 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. 20-42-240004: "The effect of the composition, pressure, and dimension on the magnetic, electronic, optical, and elastic properties of the magnetic Mn+1AXn (M = Cr, Mn; Fe, A = Al, Ga, Si, Ge, P, In; X = C, N; n = 1-3) MAX-phases'' and by the Government of the Russian Federation (agreement no. 075-152019-1886). The calculations were performed with the computer resources of "Complex modeling and data processing research installations of mega-class'' SRC "Kurchatovsky Institute'' (http://ckp.urcki.ru).The ternary phase diagrams for the calculation of formation enthalpies were taken from Materials Project (https://materialsproject.org).U.W.and M. F. also thank the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) -Project-ID 405553726 -TRR 270 for funding
. - ISSN 1463-9076. - ISSN 1463-9084РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
MAX PHASE
Аннотация: The magnetic properties of M2AX (M = Mn, Fe; A = Al, Ga, Si, Ge; X = C, N) phases were studied within DFT-GGA. The magnetic electronic ground state is determined. The investigation of the phase stability of M2AX phases is performed by comparing the total energy of MAX phases to that of the set of competitive phases for calculation of the phase formation enthalpy. As the result of such an approach, we have found one stable compound (Mn2GaC), and seven metastable ones. It is shown that several metastable MAX phases (Mn2AlC, Fe2GaC, Mn2GeC, and Mn2GeN) become stable at a small applied pressure (1.5–7 GPa). The mechanical, electronic and elastic properties of metastable MAX phases are studied.
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Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Univ Duisburg Essen, Fac Phys, D-47057 Duisburg, Germany.
Доп.точки доступа:
Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Draganyuk, O. N.; Драганюк, Оксана Николаевна; Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич; Wiedwald, Ulf; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Farle, M.; Фарле, Михаель; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [20-42-240004]; Government of the Russian Federation [075-152019-1886]; Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)German Research Foundation (DFG) [405553726 -TRR 270]
}
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| 17.
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Broadband light emitting zero-dimensional antimony and bismuth-based hybrid halides with diverse structures / C. K. Deng, S. Q. Hao, K. J. Liu [et al.] // J. Mater. Chem. C. - 2021. - Vol. 9, Is. 44. - P. 15942-15948, DOI 10.1039/d1tc04198c. - Cited References: 52. - This work was supported by Beijing Municipal Natural Science Foundation (2182080) and the National Natural Science Foundation of China (51972021 and 51702329). The work was partly supported by the Fundamental Research Funds for the Central Universities (FRF-IDRY-19-005) and by the RFBR according to the research project No. 19-52-80003. S. H. and C. W. (DFT calculations) acknowledge support from the Department of Energy, Office of Science Basic Energy Sciences under Grant DE-SC0014520. Access to QUEST, the supercomputing resources facilities at Northwestern University, is also acknowledged
. - ISSN 2050-7526. - ISSN 2050-7534
Перевод заглавия: Широкополосное излучение от нульмерных гибридных галогенидов на основе сурьмы и висмута с разнообразной структуройРУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
CRYSTAL-STRUCTURE
LONE-PAIR
EMISSION
PEROVSKITES
TIN
LUMINESCENCE
Аннотация: Low-dimensional organic–inorganic metal halides have recently attracted extensive attention because of their various structures and distinguished photoelectric properties. Herein, we report a series of new zero-dimensional organic–inorganic hybrid metal halides: (TMEDA)3Bi2Cl12·H2O, (TMEDA)3Bi2Br12·H2O, (TMEDA)3Sb2Br12·H2O, and (TMEDA)5Sb6Cl28·2H2O [TMEDA = N,N,N′·trimethylethylenediamine]. (TMEDA)3M2X12·H2O (M = Bi or Sb, X = Cl or Br) crystallizes in the monoclinic space group P21/n, and (TMEDA)5Sb6Cl28·2H2O crystallizes in the orthorhombic space group Pnma. (TMEDA)3M2X12 possesses a zero-dimensional structure with the metal halide ions of [MBr6]3− isolated by the organic TMEDA2+ cations. Interestingly, the (TMEDA)5Sb6Cl28·2H2O structure consists of a combination of corner-connected octahedra [Sb4Cl18]6− and edge-shared [Sb2Cl10]4−, which is quite rare. The light emission of all these compounds was measured, and (TMEDA)3Sb2Br12·H2O exhibits the most intense luminescence. Upon 400 nm ultraviolet light excitation, (TMEDA)3Sb2Br12·H2O exhibited strong broadband yellow emission centered at 625 nm with a full-width at half-maximum of ∼150 nm originating from self-trapped excitons. This work suggests the possibility of new types of hybrid halides by introducing different metal centers and probing the structural evolution and photoluminescent properties, serving as a reference for the relationship between structure and luminescent performance and demonstrating their potential use as phosphors in light-emitting diodes.
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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing Municipal Key Lab New Energy Mat & Techno, Beijing 100083, Peoples R China.
Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
RAS, SB, Lab Crystal Phys, Kirensky Inst Phys,Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Linfen 041004, Shanxi, Peoples R China.
Доп.точки доступа:
Deng, Chenkai; Hao, Shiqiang; Liu, Kunjie; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wolverton, Christopher; Fan, Liubing; Zhou, Guojun; Chen, D.a.; Zhao, Jing; Liu, Quanlin; Beijing Municipal Natural Science FoundationBeijing Natural Science Foundation [2182080]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51972021, 51702329]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [FRF-IDRY-19-005]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]; Department of Energy, Office of Science Basic Energy SciencesUnited States Department of Energy (DOE) [DE-SC0014520]
}
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| 18.
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Crystal structure and thermodynamic properties of titanate ErGaTi2O7 / L. T. Denisova, M. S. Molokeev, V. V. Ryabov [et al.] // Russ. J. Inorg. Chem. - 2021. - Vol. 66, Is. 4. - P. 532-537, DOI 10.1134/S0036023621040082. - Cited References: 29
. - ISSN 0036-0236
Кл.слова (ненормированные):
erbium gallium titanate -- solid-state synthesis -- crystal structure -- high-temperature heat capacity -- thermodynamic functions
Аннотация: Erbium gallium titanate was prepared by solid-phase synthesis via the sequential calcination of precursor oxides in an air atmosphere at 1273 and 1573 K. The crystal structure of ErGaTi2O7 was characterized by full-profile analysis for the X-ray diffraction pattern of the synthesized powder sample as follows: space group Pcnb, a = 9.77326(15) Å, b = 13.5170(2) Å, c = 7.33189(11) Å, V = 918.58(3) Å3, ρ = 6.10 g/cm3. The high-temperature heat capacity of erbium gallium titanate was measured by differential scanning calorimetry within a temperature range of 320–1000 K. Based on these data, the basic thermodynamic functions of ErGaTi2O7 were calculated.
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Публикация на русском языке Кристаллическая структура и термодинамические свойства титаната ErGaTi2O7 [Текст] / Л. Т. Денисова, М. С. Молокеев, В. В. Рябов [и др.] // Журн. неорг. химии. - 2021. - Т. 66 № 4. - С. 492-497
Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirenskii Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center”, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Institute of Metallurgy, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620016, Russian Federation
Baikov Institute of Metallurgy and Material Science, Russian Academy of Sciences, Moscow, 119991, Russian Federation
Доп.точки доступа:
Denisova, L. T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ryabov, V. V.; Kargin, Y. F.; Chumilina, L. G.; Denisov, V. M.
}
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| 19.
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Role of the Eu3+ Distribution on the Properties of β-Ca3(PO4)2 Phosphors: Structural, Luminescent, and 151Eu Mössbauer Spectroscopy Study of Ca9.5-1.5xMgEux(PO4)7 / D. V. Deyneko, D. A. Spassky, V. A. Morozov [et al.] // Inorg. Chem. - 2021. - Vol. 60, Is. 6. - P. 3961-3971, DOI 10.1021/acs.inorgchem.0c03813. - Cited References: 49. - This research was supported by the Russian Science Foundation (Grant 19-77-10013). The authors are grateful to A. V. Morozov (Skolkovo Institute of Science and Technology) for EDX measurements and F. D. Fedyunin for his help with luminescence measurements
. - ISSN 1520-510X
Перевод заглавия: Роль распределения Eu3+ в свойствах бета-Ca3(PO4)2 люминофоров: структурное, люминесцентное и мессбауэровское исследование 151EuCa9,5–1,5xMgEux(PO4)7
Аннотация: The series of β-Ca3(PO4)2-type phosphors Ca9.5–1.5xMgEux(PO4)7 were synthesized by a solid-state route. Observation of the proper Eu3+ ion distribution in the Ca9.5Mg(PO4)7 host matrix was made by a direct method using 151Eu Mössbauer spectroscopy in combination with X-ray analysis and dielectric and luminescent spectroscopy. The photoluminescence properties were studied in detail. The samples exhibit an exceptionally narrow-band red emission according to the dominant 5D0 → 7F2 transition and fulfill the industrial requirements for high-energy-efficiency red phosphors. The contribution of Eu3+ ions in different crystal sites to the luminescent properties is discussed in detail. The difference of the excitation of Eu3+ in the M1 and M2 sites was revealed by photoluminescence excitation spectra in accordance with structure refinement. The temperature dependence of the luminescence intensity was studied. Different tendencies in the thermal behavior of emission lines allow one to consider the studied compounds as phosphors suitable for luminescence thermometry. The measured quantum yield for Ca9.5–1.5xMgEux(PO4)7 shows excellent results and reaches 63%.
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Держатели документа:
Department of Chemistry, Lomonosov Moscow State UniversityMoscow 119991, Russian Federation
Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State UniversityMoscow 119991, Russian Federation
Institute of Physics, University of Tartu, West Ostwald str. 1Tartu 50411, Estonia
Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Apatity, 184200, Russian Federation
Research Institute of Physics, Southern Federal University, 194 Stachki av., Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Scientific Center, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Доп.точки доступа:
Deyneko, D. V.; Spassky, D. A.; Morozov, V. A.; Aksenov, S. M.; Kubrin, S. P.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lazoryak, B. I.
}
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| 20.
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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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