Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ruseikina A. V., Molokeev M. S., Chernyshev V. А., Aleksandrovsky A. S., Krylov A. S., Krylova S. N., Velikanov D. A., Grigoriev M. V., Maximov N. G., Shestakov N. P., Garmonov A. A., Matigorov A. V., Tarasov A. S., Rautskii M. V., Khritokhin N. А., Melnikova L. V., Tretyakov N. Y.
Заглавие : Synthesis, structure, and properties of EuScCuS3 and SrScCuS3
Место публикации : J. Solid State Chem. - 2021. - Vol. 296. - Ст.121926. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2020.121926
Примечания : 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
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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Вид документа : Статья из журнала
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Автор(ы) : Shubin A. A., Kovalskii V. Y., Ruzankin S. P., Zilberberg I. L., Parmon V. N., Tomilin F. N., Avramov P. V.
Заглавие : The FeIV-O• oxyl unit as a key intermediate in water oxidation on the FeIII-hydroxide: DFT predictions
Место публикации : Int. J. Quantum Chem. - 2021. - Vol. 121, Is. 10. - Ст.e26610. - ISSN 00207608 (ISSN), DOI 10.1002/qua.26610
Примечания : Cited References: 21. - Aleksandr A. Shubin, Igor L. Zilberberg, and Valentin N. Parmon acknowledge the support of Russian Foundation for Basic Research under grant No. 15-29-01275. Viktor Yu. Kovalskii acknowledges the support of Russian Foundation for Basic Research under grant No. 18-33-00932. Calculations have been performed at the Siberian Supercomputer Centre SB RAS
Аннотация: The O-O coupling process in water oxidation on the gamma FeOOH hydroxide catalyst is simulated by means of density functional theory using model iron cubane cluster Fe4O4(OH)4. A key reactive intermediate is proposed to be the HO-FeIV-O• oxyl unit with terminal oxo radical. The “initial” vertex FeIII(OH) moiety forms this intermediate at the calculated overpotential of 0.93 V by adding one water molecule and withdrawing two proton–electron pairs. The O-O coupling goes via water nucleophilic attack on the oxyl oxygen to form the O-O bond with a remarkably low barrier of 11 kcal/mol. This process is far more effective than alternative scenario based on direct interaction of two ferryl FeIV-O sites (with estimated barrier of 36 kcal/mol) and is comparable with the coupling between terminal oxo center and three-coordinated lattice oxo center (12 kcal/mol barrier). The process of hydroxylation of terminal oxygen inhibits the O-O coupling. Nevertheless, being more effective for ferryl oxygen, the hydroxylation in fact enhances selectivity of the O-O coupling initiated by the oxyl oxygen.
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Вид документа : Статья из журнала
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Автор(ы) : Bogdanov E. V., Molokeev M. S., Gorev M. V., Kartashev A. V., Laptash N. M., Flerov I. N.
Заглавие : Phase transition in RbCdZrF7: Structure and thermal properties
Место публикации : J. Fluor. Chem. - 2021. - Vol. 245. - Ст.109748. - ISSN 00221139 (ISSN), DOI 10.1016/j.jfluchem.2021.109748
Примечания : Cited References: 30. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS"
Аннотация: X-ray, calorimetric and dilatometric studies of RbCdZrF7 revealed the existence of the second order phase transition Cmcm - P21/m at T0 = 200 K. The structure of the initial and distorted phases is ordered. The phase transition is associated with displacements of fluorine atoms, which leads to minor rotations of the CdF7 and ZrF7 pentagonal bipyramids. A small change in entropy, 0.1R, is characteristic of displacive-type transformations. An anomalously high susceptibility of the transition temperature to hydrostatic pressure was found.
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Вид документа : Статья из журнала
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Автор(ы) : Shustin M. S., Potkina M. N.
Заглавие : Effective easy-axis anisotropy of the two-sublattice single-chain magnet with twisted easy planes
Коллективы : Foundation for the Advancement of Theoretical Physics and Mathematics "BASIS" [20-1-4-25-1, 19-1-1-12-2]
Место публикации : Nanosyst. - Phys. Chem. Math. - 2020. - Vol. 11, Is. 6. - P.659-665. - ISSN 2220-8054, DOI 10.17586/2220-8054-2020-11-6-659-665; Наносистемы: физ., хим., матем. - ISSN 2305-7971(eISSN)
Примечания : Cited References: 15. - S. M. S. expresses deep gratitude to V. V. Val'kov. The main results of this work were with substantial use of the theory developed by him (see for example articles [10], [12] and references given in them), as well as on his previous advice. S. M. S. and M. N. P. acknowledges the support from the Foundation for the Advancement of Theoretical Physics and Mathematics "BASIS" (Grants No. 20-1-4-25-1 and 19-1-1-12-2, respectively)
Аннотация: An analytical solution for the spin-wave spectrum of the two-sublattice 1D magnet with SA = SB = 1 and twisting easy planes has been obtained. Such planes are mutually twisted by an angle φ relative to each other. For the case of mutually orthogonal easy planes φ = π/2, the spectrum vs. quasi-momentum dependence has been compared with that of an easy-axis magnet with the easy axis aligned along the line of intersection of the planes. An analogy of the spectra of the models has been shown, indicating the possibility of the effective easy axis anisotropy in easy-plane two-sublattice single-chain magnets.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korzhneva K. E., Bekenev V. L., Khyzhun O. Y., Goloshumova A. A., Tarasova A. Y., Molokeev M. S., Isaenko L. I., Kurus A. F.
Заглавие : Single crystal growth and the electronic structure of Rb2Na(NO3)3: Experiment and theory
Место публикации : J. Solid State Chem. - 2021. - Vol. 294. - Ст.121910. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2020.121910
Примечания : 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)
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Sedykh A. E., Molokeev M. S., Oreshonkov A. S., Aleksandrovsky A. S., Krylov A. S., Khritokhin N. A., Sal'nikova E. I., Andreev O. V., Muller-Buschbaum K.
Заглавие : Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O
Место публикации : J. Solid State Chem. - 2021. - Vol. 294. - Ст.121898. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2020.121898
Примечания : 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
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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Вид документа : Статья из журнала
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Автор(ы) : Головнев Н. Н., Молокеев, Максим Сергеевич, Стерхова И. В., Иваненко Т. Ю.
Заглавие : Структура и свойства 2-тиобарбитурато-2,2’- дипиридильного комплекса железа(II)
Место публикации : Журн. СФУ. Химия. - 2020. - Т. 13. № 4. - С. 479-488. - ISSN 1998-2836 (ISSN), DOI 10.17516/1998-2836-0198; J. Sib. Fed. Univ. Chem. - ISSN 2313-5530 (eISSN)
Примечания : Библиогр.: 24. - Исследование выполнено при финансовой поддержке РФФИ в рамках научного проекта№ 19-52-80003
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Liu, Zhiyang, Molokeev M. S., Xiao, Zewen, Xia, Zhiguo, Zhang, Xian-Ming
Заглавие : Manipulation of Cl/Br transmutation in zero-dimensional Mn2+-based metal halides toward tunable photoluminescence and thermal quenching behaviors
Место публикации : J. Mater. Chem. C. - 2021. - Vol. 9, Is. 6. - P.2047-2053. - ISSN 2050-7526, DOI 10.1039/d0tc05137c. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 56. - The present work was financially supported by the Natural Science Foundation of China (21871167), and 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), and funded by RFBR according to the research project no. 19-52-80003
Аннотация: Low-dimensional-networked metal halides are attractive for the screening of emitters applied in solid-state lighting and displays, but the lead toxicity and poor stability are obstacles that must be overcome in industrial applications. Herein, we aim at the discovery of bright and stable photoluminescence in zero-dimensional (0D) Mn2+-based metal halides. By manipulation of Cl/Br transmutation, the nature of the halogen can be confirmed as a pivotal factor to tune the PL behaviors, and the optimum Mn2+ emission with a high PLQY of 99.8% and a short lifetime of 0.372 ms can be achieved in (C24H20P)2MnBr4. The thermal quenching behaviors have been discussed in depth, indicating that the synergistic effect of good chemical stability of organic groups, a long Mn⋯Mn distance of 10.447 Å and a relatively large activation energy (ΔE = 0.277 eV) provides a platform for achieving excellent thermal stability in (C24H20P)2MnBr4. Moreover, the as-fabricated white LED device with a high luminous efficacy of 118.9 lm W−1 and a wide color gamut of 105.3% National Television System Committee (NTSC) shows that (C24H20P)2MnBr4 can be employed as a desirable narrow-band green emitter for LED displays. This work provides a new understanding of fine tailoring halogens, and proposes a feasible approach to achieving high thermal stability emitters toward the targeted practical applications.
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Вид документа : Статья из журнала
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Автор(ы) : Yadav A., Yadav N., Agrawal V., Polyutov S. P., Tsipotan A. S., Karpov S. V., Slabko V. V., Yadav V. S., Wu Y. L., Zheng H. Y., RamaKrishna S.
Заглавие : State-of-art plasmonic photonic crystals based on self-assembled nanostructures
Коллективы : Taishan Scholar scheme of Shandong Province, China [20190401]; Ministry of Science and Higher Education of Russian Federation [FSRZ-2020-0008]
Место публикации : J. Mater. Chem. C. - 2021. - Vol. 9, Is. 10. - P.3368-3383. - ISSN 2050-7526, DOI 10.1039/d0tc05254j. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 127. - All the authors acknowledge the respective department for providing facilities and resources. We acknowledge funding support from Taishan Scholar scheme of Shandong Province, China (ts 20190401). SPP and SVK acknowledge support of the Ministry of Science and Higher Education of Russian Federation, project no. FSRZ-2020-0008
Аннотация: Controlled self-assembly of plasmonic photonic nanostructures provides a cost-effective and efficient methodology to expand plasmonic photonic nano-platforms with unique, tunable, and coupled optical characteristics. Keeping advantages and challenges in view, this review highlights contemporary advancements towards the development of self-assembly of a plasmonic photonic nanostructure using a colloidal solution and a self-assembly modeling technique along with exploring novel optical properties and associated prospects. The potential applications of self-assembled plasmonic photonic nano-systems to investigate next-generation optoelectronic devices, the need to reduce and increase scaling up aspects, and improve the performance, are also covered briefly in the review. The need of considerable efforts for the design and development towards establishing novel cost-effective methods to fabricate controlled self-assembled smart nano-plasmonic platforms is also highlighted in this mini-review. Key confronting issues that precisely limit the self-assemblies of photonic nanostructures and desired integration with other device components, mainly including uniformity within miniaturized devices are also discussed. This review will serve as a guideline and platform to plan advanced research in developing self-assembled plasmonic photonic nano-systems to investigate smart functional optical devices.
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10.

Вид документа : Статья из журнала
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Автор(ы) : Deyneko D. V., Spassky D. A., Morozov V. A., Aksenov S. M., Kubrin S. P., Molokeev M. S., Lazoryak B. I.
Заглавие : 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
Место публикации : Inorg. Chem. - 2021. - Vol. 60, Is. 6. - P.3961-3971. - ISSN 1520510X (ISSN), DOI 10.1021/acs.inorgchem.0c03813
Примечания : 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
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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11.

Вид документа : Статья из журнала
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Автор(ы) : Denisova L. T., Molokeev M. S., Ryabov V. V., Kargin Y. F., Chumilina L. G., Denisov V. M.
Заглавие : Crystal structure and thermodynamic properties of titanate ErGaTi2O7
Место публикации : Russ. J. Inorg. Chem. - 2021. - Vol. 66, Is. 4. - P.532-537. - ISSN 00360236 (ISSN), DOI 10.1134/S0036023621040082
Примечания : Cited References: 29
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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12.

Вид документа : Статья из журнала
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Автор(ы) : Liu G., Hu T., Molokeev M. S., Xia Z.
Заглавие : Li/Na substitution and Yb3+ co-doping enabling tunable near-infrared emission in LiIn2SbO6:Cr3+ phosphors for light-emitting diodes
Место публикации : iScience. - 2021. - Vol. 24, Is. 4. - Ст.102250. - ISSN 25890042 (ISSN), DOI 10.1016/j.isci.2021.102250
Примечания : Cited References: 45. - The present work was supported by the National Natural Science Foundation of China of China (Grant Nos. 51972118 and 51961145101), the Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science & Technology Project (202007020005), the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Pro-gram (2017BT01X137), and RFBR according to the research project No. 19-52-80003
Аннотация: Near-infrared (NIR) phosphor-converted light-emitting diode (pc-LED) has great potential in non-invasive detection, while the discovery of tunable broadband NIR phosphor still remains a challenge. Here, we report that Cr3+-activated LiIn2SbO6 exhibits a broad emission band ranging from 780 to 1400 nm with a full width at half maximum (FWHM) of 225 nm upon 492 nm excitation. The emission peaks are tuned from 970 to 1020 nm together with considerable broadening of FWHM (∼285 nm) via Li/Na substitution. Depending on Yb3+ co-doping, a stronger NIR fluorescence peak of Yb3+ appears with improved thermal resistance, which is ascribed to efficient energy transfer from Cr3+ to Yb3+. An NIR pc-LED package has been finally designed and demonstrated a remarkable ability to penetrate pork tissues (∼2 cm) so that the insertion depth of a needle can be observed, indicating that the phosphor can be applied in non-destructive monitoring.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Su B., Song G., Molokeev M. S., Golovnev N. N., Lesnikov M. K., Lin Z., Xia Z.
Заглавие : Role of metal-chloride anions in photoluminescence regulations for hybrid metal halides
Место публикации : J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 7. - P.1918-1925. - ISSN 19487185 (ISSN), DOI 10.1021/acs.jpclett.1c00182
Примечания : Cited References: 40. - This work is supported by the National Natural Science Foundation of China (51961145101 and 51972118), the Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science & Technology Project (202007020005), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project No. 19-52-80003
Аннотация: Organic–inorganic hybrid metal halides with emissive organic cations are of great interest due to their structural diversity and interesting photophysical properties. Here, we assemble emissive organic cations (EnrofloH22+) with different metal–chloride anions (Pb2Cl62– to Bi2Cl104– to SnCl62–) to form the new single crystal phases, and thus the photoluminescence properties of the metal halides, including Stokes shift, full width at half-maximum (FWHM), and photoluminescence quantum yield (PLQY) have been studied accordingly. (EnrofloH2)SnCl6·H2O, as an example, possesses narrow FWHM and high PLQY, which are caused by the strong π–π stacking and inter- and intramolecular hydrogen bonds interactions. Compared with EnrofloH22+ cation in solution, the interactions generate a restraining effect and increase the rigid degree of EnrofloH22+ cation in the bulk single crystals. Our work clarifies the photophysical properties of the EnrofloH22+ organic cations by constructing the inter- and intramolecular interactions and boosts the further study of organic–inorganic hybrid metal halides materials with different luminescence mechanisms.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tanwar M., Pathak D. K., Chaudhary A., Krylov A. S., Pfnur H., Sharma A., Ahn B., Lee S., Kumar R.
Заглавие : Pseudo-anomalous size-dependent electron-phonon interaction in graded energy band: Solving the Fano paradox
Место публикации : J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 8. - P.2044-2051. - ISSN 19487185 (ISSN), DOI 10.1021/acs.jpclett.1c00217
Примечания : Cited References: 77
Аннотация: Quantum size effects on interferons (electron-phonon bound states), confined in fractal silicon (Si) nanostructures (NSs), have been studied by using Raman spectromicroscopy. A paradoxical size dependence of Fano parameters, estimated from Raman spectra, has been observed as a consequence of longitudinal variation of nanocrystallite size along the Si wires leading to local variations in the dopants' density which actually starts governing the Fano coupling, thus liberating the interferons to exhibit the typical quantum size effect. These interferons are more dominated by the effective reduction in dopants' density rather than the quantum confinement effect. Detailed experimental and theoretical Raman line shape analyses have been performed to solve the paradox by establishing that the increasing size effect actually is accompanied by receding Fano coupling due to the weakened electronic continuum. The latter has been validated by observing a consequent variation in the Raman signal from dopants which was found to be consistent with the above conclusion.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Vasiliev A. D., Demina A. V.
Заглавие : Structure of two novel fluoroquinolone salts
Место публикации : J. Struct. Chem. - 2021. - Vol. 62, Is. 2. - P.236-243. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476621020074
Примечания : Cited References: 23. - The reported study was funded by RFBR, project number 19-52-80003
Аннотация: Fluoroquinolone compounds with the composition CfH2+2, 2Cl–, H2O (CfH2Cl2·H2O (I)) and 4LevoH2+2, 3[SnCl6]2–, 2Cl–, 2H2O ((LevoH2)4[SnCl6]3Cl2·2H2O (II)) (Cf is ciprofloxacin, Levo is levofloxacin) are prepared. Their structures are determined by XRSCD. Crystals I are monoclinic: a = 8.6389(11) Å, b = 14.5486(19) Å, c = 14.8605(19) Å, β = 91.914(3)°, V = 1866.7(4) Å3, space group P21/c, Z = 4. Crystals II are triclinic: a = 12.4821(8) Å, b = 13.8144(8) Å, c = 15.2342(9) Å, α = 84.360(1)°, β = 79.265(1)°, γ = 74.038(1)°, V = 2478.3(3) Å3, space group P1, Z = 1. The structures are stabilized by multiple hydrogen bonds. The photoluminescent properties and thermal stability of compound I are considered.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, I., V, Lesnikov M. K.
Заглавие : Crystal Structure of Norfloxacinium and 2,2 '-Bipyridyl-1 '-Ium 2-Thiobarbiturates
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : J. Struct. Chem. - 2020. - Vol. 61, Is. 10. - P.1639-1647. - ISSN 0022-4766, DOI 10.1134/S0022476620100170. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 33. - The reported study was funded by RFBR, project number 19-52-80003
Предметные рубрики: THERMAL-STABILITY
ACID
FORMS
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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17.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Denisova E. A., Chekanova L. A., Nemtsev I. V., Komogortsev S. V., Shepeta N. A.
Заглавие : Soft magnetic FeCo films produced by green chemistry technique
Коллективы : International Conference on High-Tech and Innovations in Research and Manufacturing
Место публикации : J. Phys.: Conf. Ser. - 2020. - Vol. 1582, Is. 1. - Ст.012077. - DOI 10.1088/1742-6596/1582/1/012077
Примечания : Cited References: 10. - This work was funded by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, the Krasnoyarsk Regional Fund for the Support of Scientific and Technical Activities (project no. 18-42-240006 Nanomaterials with magnetic properties determined by the topological features of the nanostructure). The authors thank the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS for the provided equipment
Аннотация: The saturation magnetizations, local magnetic anisotropy field and coercivity values of FeCo film plated under various processing conditions have been investigated to optimize soft magnetic properties. Herein, we introduce a very promising processing technique based on the electrodeless deposition of FeCo film with carbohydrates as reducing agents. The produced FeCo film demonstrated significantly better saturation magnetization values and less contaminations, compared to those for the sample preparing with conventional reducing agent (sodium hypophosphite). The surface morphology and coercivities of FeCo films are dependent on the iron content and type of reducing agent. The coercive force values range from 12 up to 30 Oe and the saturation magnetization from 150 to 240 emu/g depending on the bath composition and deposition parameters. Maximum of saturation magnetization magnitude is reached for FeCo film with 30% cobalt. The local anisotropy field value of FeCo alloys increases with a decrease in Fe content for all reducing agent types.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman V., Adichtchev S. V., Atuchin V. V., Bazarov B. G., Bazarova J. G., Kuratieva N., Oreshonkov A. S., Pervukhina N. V., Surovtsev N. V.
Заглавие : Exploration of the structural and vibrational properties of the ternary molybdate Tl5BiHf(MoO4)6with isolated MoO4 units and Tl+ conductivity
Место публикации : Inorg. Chem. - 2020. - Vol. 59, Is. 17. - P.12681-12689. - ISSN 00201669 (ISSN), DOI 10.1021/acs.inorgchem.0c01762
Примечания : Cited References: 69. - This study was supported by the Russian Science Foundation (19-42-02003, in the part of conceptualization). The study was also funded by the RFBR according to research projects 18-08-00985, 18-08-00799, and 18-03-00557. This study was carried out within the state assignment of the FASO of Russia (Theme No. 0339-2016-0007)
Аннотация: The phase relations in the subsolidus region of the Tl2MoO4–Bi2(MoO4)3–Hf(MoO4)2 system were studied with the “intersecting cuts” method. The formation of the novel ternary molybdate Tl5BiHf(MoO4)6 is found in this ternary system. The compound has a phase transition at Tpt = 731 K (ΔH = −3.15 J/g) and melts at Tm = 871 K (ΔH = −41.71 J/g), as determined by a thermal analysis. Tl5BiHf(MoO4)6 single crystals were obtained by the spontaneous nucleation method. The crystal structure of Tl5BiHf(MoO4)6 was revealed by structure analysis methods. This molybdate crystallizes in the trigonal space group R3̅c with the unit cell parameters a = 10.6801(4) Å, c = 38.5518(14) Å, V = 3808.3(2) Å3, and Z = 6. The vibrational characteristics of Tl5BiHf(MoO4)6 were determined by Raman spectroscopy. The Tl5BiHf(MoO4)6 conductivity was measured at frequencies of 0.1, 1.0, and 10 kHz in the temperature range of 293–773 K; in this temperature range, the conductivity level was 10–12–10–7 S/cm.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Onufrienok V. V., Chzhan A. V., Bondarenko G. V., Yurkin G. Yu.
Заглавие : Transition of metastable pyrrhotites to a stable phase state
Место публикации : Inorg. Mater. - 2020. - Vol. 56, Is. 9. - P.898-902. - ISSN 0020-1685, DOI 10.1134/S0020168520090137. - ISSN 1608-3172(eISSN)
Примечания : Cited References: 23
Предметные рубрики: MAGNETIC-PROPERTIES
TEMPERATURE
CHEMISTRY
Аннотация: Equilibrium phase relations of synthetic minerals prepared by annealing metastable iron sulfides, followed by prolonged isothermal storage in the Earth atmosphere, have been studied by X-ray diffraction. The results demonstrate that prolonged storage of synthetic pyrrhotites annealed at different temperatures makes it possible to identify metastable and stable phases of Fe and S compounds.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Popov D. V., Gavrilova T. P., Gilmutdinov I. F., Cherosov M. A., Shustov V. A., Moshkina E. M., Bezmaternykh L. N., Eremina R. M.
Заглавие : Magnetic properties of ludwigite Mn2.25Co0.75BO5
Место публикации : J. Phys. Chem. Solids. - 2021. - Vol. 148. - Ст.109695. - ISSN 00223697 (ISSN), DOI 10.1016/j.jpcs.2020.109695
Примечания : Cited References: 36. - This research was supported by the RFBR (project no. 17-02-00953 ). T. P. G., R. M. E., V. A. Sh. acknowledge the financial support from the government assignment for FRC Kazan Scientific Center of RAS . The magnetic measurements were carried out at the Federal Center of Shared Facilities of Kazan Federal University
Аннотация: Needle-shape single crystals of Mn2.25Co0.75BO5 ludwigite were synthesized by the flux technique and investigated by means of X-ray diffraction, static magnetic susceptibility and specific heat measurements. Magnetization and specific heat experiments showed the presence of ferrimagnetic ordering near TN≃61K. Below this temperature the magnetic properties demonstrated the angular dependence and the high magnetic hardness in a magnetic field applied perpendicular to the crystallographic c axis, which is similar to other cobalt-containing ludwigites. The effective magnetic moment per magnetic ion 4.8μB was calculated from the paramagnetic data. Analysis of the phonon contribution to the specific heat allowed to distinguish the magnetic contribution CM, which has two features. One of which was observed at TN and can be attributed to strong exchange interactions between spins of magnetic ions. The second one at T = 11.6 K is due to the effect of the ligands crystal field on a magnetic ion with S›1/2.
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