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    Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O / Y. G. Denisenko, A. E. Sedykh, M. S. Molokeev [et al.] // J. Solid State Chem. - 2021. - Vol. 294. - Ст. 121898, DOI 10.1016/j.jssc.2020.121898. - Cited References: 54. - This work was partially supported by the Russian Foundation for Basic Research (Grant 19-33-90258∖19 ). Use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 0022-4596
   Перевод заглавия: Кристаллическая и электронная структура, термохимические и фотофизические свойства моногидрата сульфата европия-серебра AgEu(SO4)2·H2O
Кл.слова (ненормированные):
Structure -- Thermochemistry -- Luminescence -- Sulfates -- Europium
Аннотация: In order to synthesize single crystals of europium-silver double sulfate monohydrate, a hydrothermal reaction route was used. It was found that the crystallization cannot be performed under standard conditions. The compound AgEu(SO4)2·H2O crystallizes in the trigonal crystal system, space group P3221 (a = 6.917(1), c = 12.996(2) Å, V = 538.53(17) Å3). The structure consists of triple-capped trigonal prisms [EuO9], in which one oxygen atom belongs to crystalline water, silver octahedra [AgO6], and sulfate tetrahedra [SO4]. The hydrogen bonds in the system additionally stabilize the structure. The electronic band structure wasstudied by density functional theory calculations which show that AgEu(SO4)2·H2O is an indirect band gap dielectric. Temperature dependent photoluminescence spectroscopy shows emission bands of transitions from the 5D0 state to the spin-orbit components of the 7FJmultiplet (J = 0–6).The ultranarrow transition 5D0 - 7F0 shows a red shift with respect to other europium-containing water-free sulfates that is ascribed to the presence of OH group in the crystal structure in the close vicinity of the Eu3+ ion. An effect of abnormal sensitivity of the Ω4 intensity factor to minor distortions of the local environment is detected for the observed low local symmetry of C2.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University of Giessen, Giessen35392, Germany
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University of Giessen, Giessen35392, Germany
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
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Komissarov Department of General Chemistry, Northen Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Sedykh, A. E.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Khritokhin, N. A.; Sal'nikova, E. I.; Andreev, O. V.; Muller-Buschbaum, K.
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    Single crystal growth and the electronic structure of Rb2Na(NO3)3: Experiment and theory / K. E. Korzhneva, V. L. Bekenev, O. Y. Khyzhun [et al.] // J. Solid State Chem. - 2021. - Vol. 294. - Ст. 121910, DOI 10.1016/j.jssc.2020.121910. - Cited References: 54. - This work was done on state assignment of IGM SB RAS, Ministry of Science and Higher Education of the Russian Federation; NSU BCH-2020-0036-4 (10988) (XRD analysis), and was supported by Russian Foundation for Basic Research (grants Nos. 18-32-00359 , 19-42-540012) . - ISSN 0022-4596
   Перевод заглавия: Рост монокристалла и электронная структура Rb2Na(NO3)3: эксперимент и теория
Кл.слова (ненормированные):
Double nitrates -- Crystal growth -- Electronic structure -- Nonlinear optical materials -- X-ray photoelectron spectroscopy
Аннотация: Rb2Na(NO3)3 crystals demonstrate nonlinear optical properties and can be used as a converter of laser radiation in the shortwave region. The crystals were grown in the present work by the Bridgman–Stockbarger method in a ratio of 75 wt%(RbNO3) and 25 wt%(NaNO3). After the growth, a transparent centimeter size single crystal (6 cm long) was obtained for the first time that is very important for its practical application. The unit cell volume of double Rb2Na(NO3)3 nitrate is intermediate between the cell volumes of simple rubidium and sodium nitrates, RbNO3 and NaNO3. Electronic structure of Rb2Na(NO3)3 was studied in the present work from both experimental and theoretical viewpoints. In particular, employing X-ray photoelectron spectroscopy, we have measured binding energies of core electrons and energy distribution of the electronic states within the valence band region of the Rb2Na(NO3)3 crystal and established rather big binding energies for N 1s and O 1s core-level electrons. The bombardment of middle-energy Ar+ ions induces transformation of some nitrogen atoms of the analyzing topmost layers of the Rb2Na(NO3)3 crystal surface from the NO3– group to the NO2– group. To explore in detail the filling of the valence band of Rb2Na(NO3)3 by electronic states associated with constituting atoms, we use first-principles calculations within a density functional theory (DFT) framework. The DFT calculations reveal that O 2p states are the principal contributors to the valence band bringing the main input in its upper portion. The theoretical finding is supported experimentally by fitting the X-ray photoelectron valence band spectrum and the X-ray emission O Kα band on the total energy scale. The conduction band bottom of Rb2Na(NO3)3 is composed by unoccupied O 2p and N 2p states in almost equal proportion.

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Держатели документа:
Novosibirsk State University, Novosibirsk, 630090, Russian Federation
V.S. Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation
Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanovsky StreetKyiv UA-03142, Ukraine
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Korzhneva, K. E.; Bekenev, V. L.; Khyzhun, O. Y.; Goloshumova, A. A.; Tarasova, A. Y.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Isaenko, L. I.; Kurus, A. F.
}
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Crystal Structure of Norfloxacinium and 2,2 '-Bipyridyl-1 '-Ium 2-Thiobarbiturates / N. N. Golovnev, M. S. Molokeev, I. V. Sterkhova, M. K. Lesnikov // J. Struct. Chem. - 2020. - Vol. 61, Is. 10. - P. 1639-1647, DOI 10.1134/S0022476620100170. - Cited References: 33. - The reported study was funded by RFBR, project number 19-52-80003 . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THERMAL-STABILITY
ACID
FORMS
Кл.слова (ненормированные):
2,2 '-dipyridynium and norfloxacinium 2-thiobarbiturates -- synthesis -- structure -- thermal stability
Аннотация: Organic salts with the composition NfH2(Htba)·6H2O (I) and BipyH(Htba)·2H2O (II) (Н2tba is 2-thiobarbituric acid, NfH is norfloxacin and Bipy is 2,2′-dipyridyl) are prepared. Their structures are determined by XRD (CCDC cif-file No. 1967494-1967495). Crystals I are triclinic: a = 11.8821(4) Å, b = 11.9959(5) Å, c = 12.0038(4) Å, α = 119.835(1)°, β = 107.691(1)°, γ = 95.237(1)°, V = 1351.80(9) Å3, space group P-1, Z = 2. Crystals II are monoclinic: a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å, β = 98.118(1)°, V = 1563.71(6) Å3, space group P21/n, Z = 4. The structures are stabilized by numerous hydrogen bonds and π–π interactions involving Нtba−, NfH+2, and BipyH+ ions. Thermal decomposition of these compounds in air includes dehydration and oxidative degradation stages.

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Публикация на русском языке Кристаллическая структура 2-тиобарбитуратов норфлоксациниума и 2,2'-дипиридил-1'-иума [Текст] / Н. Н. Головнев, М. С. Молокеев, И. В. Стерхова, М. К. Лесников // Журн. структ. химии. - 2020. - Т. 61 № 10. - С. 1724-1733

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Fed Res Ctr KSC, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.
Russian Acad Sci, Favorsky Inst Chem, Siberian Branch, Irkutsk, Russia.

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I., V; Lesnikov, M. K.; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
}
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    Synthesis, structure, and properties of EuScCuS3 and SrScCuS3 / A. V. Ruseikina, M. S. Molokeev, V. А. Chernyshev [et al.] // J. Solid State Chem. - 2021. - Vol. 296. - Ст. 121926, DOI 10.1016/j.jssc.2020.121926. - Cited References: 72. - The work was supported by the Ministry of Science and Higher Education of the Russian Federation under Project No. FEUZ-2020-0054; by RFBR Grant 18-02-00754 ; by the “UMNIK” program research project № 14977GY/2019; by the Ministry of Science and Higher Education of the Russian Federation (contract no. 05.594.21.0019 , unique identification number RFMEFI59420X0019). Maxim S. Molokeev, Anton S. Tarasov and Mikhail V. Rautskii acknowledge additional funding from Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation. The subset research was performed in Research Resource Center “Natural Resource Management and Physico-Chemical Research.” The use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 0022-4596
   Перевод заглавия: Синтез, строение и свойства EuScCuS3 и SrScCuS3
Кл.слова (ненормированные):
Inorganic materials -- Thermochemistry -- Raman spectroscopy -- Magnetic measurements -- Optical spectroscopy -- X-ray diffraction -- Ab initio calculations
Аннотация: The crystal structures of the first-synthesized compound EuScCuS3 and previously known SrScCuS3 are refined by Rietveld analysis of X-ray powder diffraction data. The structures are found to belong to orthorhombic crystal system, space group Cmcm, structural type KZrCuS3, with a = 3.83413(3) Å, b = 12.8625(1) Å, c = 9.72654(8) Å (SrScCuS3) and a = 3.83066(8) Å, b = 12.7721(3) Å, c = 9.7297(2) Å (EuScCuS3). The temperatures and enthalpies of incongruent melting are the following: Тm = 1524.5 К, ΔHm = 21.6 kJ•mol−1 (SrScCuS3), and Тm = 1531.6 К, ΔHm = 26.1 kJ•mol−1 (EuScCuS3). Ab initio calculations of the crystal structure and phonon spectrum of the compounds were performed. The types and wavenumbers of fundamental modes were determined and the involvement of ions participating in the IR and Raman modes was assessed. The experimental IR and Raman spectra were interpreted. EuScCuS3 manifests a ferromagnetic transition at 6.4 K. The SrScCuS3 compound is diamagnetic. The optical band gaps were found to be 1.63 eV (EuScCuS3) and 2.24 eV (SrScCuS3) from the diffuse reflectance spectra. The latter value is in good agreement with that calculated by the DFT method. The narrower band gap of EuScCuS3 is explained by the presence of 4f-5d transition in Eu2+ ion that indicates a possibility to control the band gap of the chalcogenides by the inclusion of Eu. The activation energy of crystal structure defects, being the source of additional absorption in the NIR spectral range, was found to be 0.29 eV.

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Держатели документа:
Institute of Chemistry, University of Tyumen, Tyumen, 625003, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660079, Russian Federation
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, 620002, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, 660049, Russian Federation
Institute of Physics and Technology, University of Tyumen, Tyumen, 625003, Russian Federation
Engineering Centre of Composite Materials Based on Tungsten Compounds and Rare-earth Elements, University of Tyumen, Tyumen, 625003, Russian Federation
University of Tyumen, Tyumen, 625003, Russian Federation

Доп.точки доступа:
Ruseikina, A. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chernyshev, V. А.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Grigoriev, M. V.; Maximov, N. G.; Shestakov, N. P.; Шестаков, Николай Петрович; Garmonov, A. A.; Matigorov, A. V.; Tarasov, A. S.; Тарасов, Антон Сергеевич; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Khritokhin, N. А.; Melnikova, L. V.; Tretyakov, N. Y.
}
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The Influence of Alumina Nanofibers on the Physical and Mechanical Properties of Mineral-Filled Polyethylene: an Experimental Study / A. A. Kuular, M. M. Simunin, T. V. Bermeshev [et al.] // Tech. Phys. Lett. - 2020. - Vol. 46, Is. 12. - P. 1215-1218, DOI 10.1134/S1063785020120214. - Cited References: 6. - This study was supported by the Ministry of Science and Higher Education of the Russian Federation within the framework of a state order to the Smart Materials and Structures Research Laboratory on the subject “Development of Multifunctional Smart Materials and Structures Based on Modified Polymer Composites Capable to Operate under Extreme Conditions,” subject no. FEFE-2020-0015 . - ISSN 1063-7850
Кл.слова (ненормированные):
mineral-filled polyethylene -- alumina nanofibers -- physical and mechanical properties -- strength enhancement
Аннотация: Improvement of physical and mechanical characteristics of mineral-filled polyethylene (MFPE) upon addition of alumina nanofibers with a high aspect ratio has been experimental studied. It is shown that, at the weight concentration of alumina nanofibers of 0.1 wt %, the ultimate tensile strength increases from 3.82 ± 0.04 to 6.70 ± 0.07 MPa and the Young’s modulus increases from 1.08 ± 0.01 to 1.38 ± 0.01GPa (with respect to MFPE). The MFPE/Al2O3 nanofiber composite can be described within a model of weak adhesive interaction between a filler and a matrix with high friction.

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Публикация на русском языке Влияние нановолокон оксида алюминия на физико-механические свойства минералонаполненного полиэтилена: экспериментальное исследование [Текст] / А. А. Куулар, М. М. Симунин, Т. В. Бермешев [и др.] // Письма в Журн. техн. физ. - 2020. - T. 46 Вып. 24. - С. 7-10

Держатели документа:
Federal Research Center “Krasnoyarsk Science Center,” Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, 660037, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Kuular, A. A.; Simunin, M. M.; Bermeshev, T. V.; Voronin, A. S.; Dobrosmyslov, S. S.; Fadeev, Y. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Khartov, S. V.
}
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    Структура и свойства 2-тиобарбитурато-2,2’- дипиридильного комплекса железа(II) / Н. Н. Головнев, М. С. Молокеев, И. В. Стерхова, Т. Ю. Иваненко // Журн. СФУ. Химия. - 2020. - Т. 13. № 4. - С. 479-488 ; J. Sib. Fed. Univ. Chem., DOI 10.17516/1998-2836-0198. - Библиогр.: 24. - Исследование выполнено при финансовой поддержке РФФИ в рамках научного проекта№ 19-52-80003 . - ISSN 1998-2836. - ISSN 2313-5530
   Перевод заглавия: The Structure and Properties of Fe(II) 1,10-Phenanthroline-Thiobarbiturate
Кл.слова (ненормированные):
железо(II) -- 2-тиобарбитуровая кислота -- 2,2’-дипиридил -- комплекс -- структура -- свойства -- iron(II) -- 2-thiobarbituric acid -- 2,2’-dipyridine -- complex -- structure -- properties
Аннотация: Методом РСА определена структура (cif-file CCDC № 1831367) моноядерного комплекса [Fe(Bipy)(H2O)2(Htba)2]∙6H2O (I), где Bipy = 2,2’-дипиридил и Н2tba = 2-тиобарбитуровая кислота. Кристаллы I ромбические: a = 17.4697(7), b = 11.7738(4), c = 13.4314(5) Å, V = 2762.6(2), пр. гр. Pnma, Z = 4. В экваториальной плоскости октаэдрического комплекса расположены два атома азота молекулы Bipy и две молекулы воды, а два S-координированных иона Htba− занимают аксиальные позиции. Структура стабилизирована многочисленными водородными связями N−H∙∙∙O, O−H∙∙∙O, С−H∙∙∙O, C−H∙∙∙S и π–π-взаимодействием между молекулами Bipy и ионами Нtba−. Соединение охарактеризовано методами порошковой рентгенографии, термического анализа и ИК-спектроскопии.
The structure of the mononuclear complex [Fe(Bipy)(H2O)2(Htba)2]∙6H2O (I), where Bipy – 2,2’-dipyridine, H2tba – 2-thiobarbituric acid (C4H4N2O2S), was determined by single crystal X-ray diffraction technique (cif-file CCDC No. 1831367). Crystals I are rhombic: a = 17.4697 (7), b = 11.7738 (4), c = 13.4314 (5) Å, V = 2762.6(2) Å3, space group Pnma, Z = 4. Two nitrogen atoms of the Bipy molecule and two water molecules are located in the equatorial plane of the octahedral complex, and two S-coordinated Htba− ions the axial positions are occupied. The structure is stabilized by N−H∙∙∙O, O−H∙∙∙O, С−H∙∙∙O, C−H∙∙∙S intermolecular hydrogen bonds and π–π interaction between Bipy and Htba−. The compound is characterized by the methods of powder X-ray diffraction, thermal analysis, and IR spectroscopy.

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Держатели документа:
Сибирский федеральный университет, Российская Федерация, Красноярск
Институт физики им. Л.В. Киренского ФИЦ «Красноярский научный центр СО РАН», Российская Федерация, Красноярск
Дальневосточный государственный университет путей сообщения, Российская Федерация, Хабаровск
Институт химии им. А.Е. Фаворского СО РАН, Российская Федерация, Иркутск

Доп.точки доступа:
Головнев, Н. Н.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Стерхова, И. В.; Иваненко, Т. Ю.

}
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Solvatochromic Photoluminescent Effects in All-Inorganic Manganese(II)-Based Perovskites by Highly Selective Solvent-Induced Crystal-to-Crystal Phase Transformations / H. Xiao, P. P. Dang, X. H. Yun [et al.] // Angew. Chem. Int. Edit. - 2021. - Vol. 60, Is. 7. - P. 3699-3707, DOI 10.1002/anie.202012383. - Cited References: 85. - This work was supported by National Natural Science Foundation of China (NSFC 51932009, 51772288, 52072349, 51672259) and the Joint Fund Project to Promote Science and Technology Cooperation Across the Taiwan Straits (U2005212), the Science and Technology Cooperation Fund between Chinese and Australian Governments (2017YFE0132300), CAS-Croucher Funding Scheme for Joint Laboratories (CAS18204), Chinese Academy of Sciences (YZDY-SSWJSC018) . - ISSN 1433-7851. - ISSN 1521-3773

РУБ Chemistry, Multidisciplinary
Рубрики:
LEAD-FREE
   HALIDE PEROVSKITE
   NANOCRYSTALS
   MN2+
   LUMINESCENCE
Кл.слова (ненормированные):
lead-free materials -- low-dimensional perovskites -- luminescence -- manganese -- phase transitions
Аннотация: The development of lead‐free perovskite photoelectric materials has been an extensive focus in the recent years. Herein, a novel one‐dimensional (1D) lead‐free CsMnCl3(H2O)2 single crystal is reported with solvatochromic photoluminescence properties. Interestingly, after contact with N,N‐dimethylacetamide (DMAC) or N,N‐dimethylformamide (DMF), the crystal structure can transform from 1D CsMnCl3(H2O)2 to 0D Cs3MnCl5 and finally transform into 0D Cs2MnCl4(H2O)2. The solvent‐induced crystal‐to‐crystal phase transformations are accompanied by loss and regaining of water of crystallization, leading to the change of the coordination number of Mn2+. Correspondingly, the luminescence changes from red to bright green and finally back to red emission. By fabricating a test‐paper containing CsMnCl3(H2O)2, DMAC and DMF can be detected quickly with a response time of less than one minute. These results can expand potential applications for low‐dimensional lead‐free perovskites.

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Держатели документа:
Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, 5625 Renmin St, Changchun 130022, Peoples R China.
Univ Sci & Technol China, Hefei 230026, Peoples R China.
China Univ Geosci, Fac Mat Sci & Chem, Minist Educ, Engn Res Ctr Nanogeomat, Wuhan 430074, Peoples R China.
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.

Доп.точки доступа:
Xiao, Hui; Dang, Peipei; Yun, Xiaohan; Li, Guogang; Wei, Y.i.; Xiao, Xiao; Zhao, Yajie; Molokeev, M. S.; Молокеев, Максим Сергеевич; Cheng, Ziyong; Lin, Jun
}
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    A New Nonlinear Optical Selenide Crystal AgLiGa2Se4 with Good Comprehensive Performance in Mid-Infrared Region / A. Yelisseyev, S. Lobanov, M. Molokeev [et al.] // Adv. Opt. Mater. - 2021. - Vol. 9, Is. 5. - Ст. 2001856, DOI 10.1002/adom.202001856. - Cited References: 32. - Crystal growth and investigation of physical properties were supported by Russian Science Foundation, Russia (#19‐12‐00085). Spectroscopic data were obtained at the Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Russia; Ministry of Science and Higher Education, Russia (performed on a state assignment). The work on first‐principles calculations also supported by National Science Foundation in China (No.51872297) and Fujian Institute of Innovation (FJCXY18010201) in Chinese Academy of Sciences . - ISSN 2195-1071
   Перевод заглавия: Новый нелинейно-оптический кристалл селенида AgLiGa2Se4 с хорошими комплексными характеристиками в средней инфракрасной области
Кл.слова (ненормированные):
crystal growth -- first principles calculations -- inorganic functional materials -- laser damage threshold -- second harmonic generation
Аннотация: Mid‐infrared (mid‐IR) nonlinear optical (NLO) crystals are indispensable for the mid‐IR lasers generation with tunable wavelengths from 3 to 20 µm. AgGaSe2 is a commercial mid‐IR NLO crystal with the highest figures of merit, but suffers low laser damage threshold (LDT). To achieve the balance of optical transmission, NLO effect, and LDT, it is proposed to molecularly modify the AgGaSe2 structure by introducing the [LiSe4] tetrahedra, and successfully grow large crystals of a new selenide AgLiGa2Se4. The replacement of half of the heavy Ag+ cations with light Li+ increases the band gap to 2.2 eV (vs. 1.7 eV in AgGaSe2). The LDT value in AgLiGa2Se4 increases five times compared to that in AgGaSe2, while keeping a relatively large NLO susceptibility of 26 pm V−1. Moreover, the thermal expansion coefficients in AgLiGa2Se4 are approximately two times lower in absolute value compared with AgGaSe2, which is beneficial to the large crystal growth. All these advantages would make AgLiGa2Se4 a new promising NLO crystal for mid‐IR laser applications.

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Держатели документа:
Laboratory of Lithospheric Mantle and Diamond Deposits, Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy SB RAS, Novosibirsk, 630090, Russian Federation
Department of Physics Laboratory of Functional materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Technical Institute of Physics and Chemistry CAS, Beijing, 100190, China
University of Chinese Academy of Sciences, Beijing, 100190, China
Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry SB RAS, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Yelisseyev, A.; Lobanov, S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, S.; Pugachev, A.; Lin, Z.; Vedenyapin, V.; Kurus, A.; Khamoyam, A.; Isaenko, L.
}
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    Atomic layer deposition ZnO on porous Al2O3 nanofibers film / A. S. Voronin, A. N. Masiygin, M. S. Molokeev, S. V. Khartov // J. Phys. Conf. Ser. - 2020. - Vol. 1679, Is. 2. - Ст. 022072DOI 10.1088/1742-6596/1679/2/022072. - Cited References: 10. - Studies by scanning electron microscopy and X-ray powder diffraction were performed on the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS». The transmission electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
   Перевод заглавия: Нанесение атомного слоя ZnO на пленку из пористых нановолокон Al2O3
Кл.слова (ненормированные):
Alumina -- Aluminum oxide -- Atomic layer deposition -- Atoms -- Composite structures -- High resolution transmission electron microscopy -- II-VI semiconductors -- Nanofibers -- Oxide minerals -- Scanning electron microscopy
Аннотация: The paper presents the results of the formation and study of the morphological and structural characteristics of the mesoporous ZnO / Al2O3 nanofibers film (ZANF). The deposition of a ZnO layer on Al2O3 nanofibers film (ANF) ~ 1 µm thick was carried out by the method of atomic layer deposition. The morphology of the mesoporous composite layer ZnO / Al2O3 (ZANF) has been studied by scanning and transmission electron microscopy. It is shown that in the process of atomic layer deposition, the ZnO layer grows according to the Stranski-Krastanov mechanism. A ZnO layer less than 5 nm thick gives an island structure in which Al2O3 nanofibers are uniformly coated with ZnO particles, an increase in the ZnO layer thickness to 15 nm demonstrates a continuous coating of Al2O3 nanofibers. The system has a core-shell structure. The resulting composite structures are promising for applications in photocatalysis and gas sensing.

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Держатели документа:
Federal Research Center Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences (KSC SB RAS), Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Reshetnev Siberian State University Science and Technology, Krasnoyarsk, 660037, Russian Federation
Kirensky Institute of Physics (FRC KSC SB RAS), Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Voronin, A. S.; Masiygin, A. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Khartov, S. V.; International Scientific Conference on Applied Physics, Information Technologies and Engineering(2nd ; 25 September - 4 October 2020 ; Krasnoyarsk, Russian Federation)
}
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10.

Effect of the forming gas ALD chamber preconditioning on the physical properties of TiN1-xOx films / F. A. Baron, M. N. Volochaev, A. V. Lukyanenko [et al.] ; чл. орг. ком.: M. Farle [et al.] ; секр. орг. ком. T. E. Smolyarova // International workshop on functional MAX-materials (1st FunMax). - 2020. - P. 15. - Cited references: 1

Материалы конференции,
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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Baron, F. A.; Барон, Филипп Алексеевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Mikhlin, Yu. L.; Михлин, Юрий Леонидович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Smolyarova, T. E.; Смолярова, Татьяна Евгеньевна; Shanidze, L. V.; Шанидзе, Лев Викторович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Farle, M. \чл. орг. ком.\; Tarasov, A. S. \чл. орг. ком.\; Ovchinnikov, S. G. \чл. орг. ком.\; Овчинников, Сергей Геннадьевич; Smolyarova, T. E. \секр. орг. ком.\; International workshop on functional MAX-materials(1 ; 2020 ; Aug. 10-12 ; Krasnoyarsk (on-line)); Kirensky Institute of Physics
}
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