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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Qiao, Jianwei, Ning, Lixin, Molokeev M. S., Chuang, Yu-Chun, Zhang, Qinyuan, Poeppelmeier, Kenneth R., Xia, Zhiguo
Заглавие : Site-Selective Occupancy of Eu2+ Toward Blue-Light-Excited Red Emission in a Rb3YSi2O7:Eu Phosphor
Место публикации : Angew. Chem. Int. Edit. - 2019. - Vol. 58, Is. 33. - P.11521-11526. - ISSN 1433-7851, DOI 10.1002/anie.201905787. - ISSN 1521-3773(eISSN)
Примечания : Cited References: 41. - This work is supported by the National Natural Science Foundation of China (51722202, 51572023, and 11574003), Natural Science Foundations of Beijing (2172036), Fundamental Research Funds for the Central Universities (FRF-TP-18-002C1), and the Guangdong Provincial Science & Technology Project (2018A050506004). K.R.P. recognizes that this work was made possible by support from the National Science Foundation, Solid State Materials Chemistry award DMR-1608218.
Предметные рубрики: LUMINESCENCE PROPERTIES
CE3+
ENERGY
PHOTOLUMINESCENCE
TRANSITION
Аннотация: Establishing an effective design principle in solid-state materials for a blue-light-excited Eu2+-doped red-emitting oxide-based phosphors remains one of the significant challenges for white light-emitting diodes (WLEDs). Selective occupation of Eu2+ in inorganic polyhedra with small coordination numbers results in broad-band red emission as a result of enhanced crystal-field splitting of 5d levels. Rb3YSi2O7:Eu exhibits a broad emission band at λmax=622 nm under 450 nm excitation, and structural analysis and DFT calculations support the concept that Eu2+ ions preferably occupy RbO6 and YO6 polyhedra and show the characteristic red emission band of Eu2+. The excellent thermal quenching resistance, high color-rendering index Ra (93), and low CCT (4013 K) of the WLEDs clearly demonstrate that site engineering of rare-earth phosphors is an effective strategy to target tailored optical performance.
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2.

Вид документа : Статья из сборника (выпуск монографической серии)
Шифр издания :
Автор(ы) : Togushova Yu.N., Korshunov M. M.
Заглавие : Role of Interactions in the Energy of the Spin Resonance Peak in Fe-Based Superconductors
Коллективы : International Conference on Solid Compounds of Transition Elements
Место публикации : Solid State Phenomena. - 2019. - Vol. 289 SSP. - P.212-217. - , DOI 10.4028/www.scientific.net/SSP.289.212
Примечания : Cited References: 30. - This work was supported in part by the Russian Foundation for Basic Research (grant 16-02-00098), Presidium of RAS Program for the Fundamental Studies #12, and “BASIS” Foundation for Development of Theoretical Physics and Mathematics. MMK acknowledges support by the Gosbudget program # 0356-2017-0030.
Предметные рубрики: Solid Compounds of Transition Elements III
Аннотация: We consider the spin response within the five-orbital model for iron-based superconductors and study two cases: equal and unequal gaps in different bands. In the first case, the spin resonance peak in the superconducting state appears below the characteristic energy scale determined by the gap magnitude, 2ΔL. In the second case, the energy scale corresponds to the sum of smaller and larger gap magnitudes, ΔL+ΔS. Increasing the values of the Hubbard interaction and the Hund's exchange, we observe a shift of the spin resonance energy to lower frequencies.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Korzhavyi, Pavel, Sandalov I. S.
Заглавие : Inducing magnetism in non-magnetic α-FeSi2 by distortions and/or intercalations
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [17-42-240212, 18-42-243019]
Место публикации : Phys. Chem. Chem. Phys. - 2019. - Vol. 21, Is. 25. - P.13835-13846. - ISSN 1463-9076, DOI 10.1039/c9cp02361e. - ISSN 1463-9084(eISSN)
Примечания : Cited References: 27. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects No 17-42-240212: "Quantum-mechanical simulation of the physical properties of correlated electron materials to improve their functional characteristics" and No 18-42-243019: "First-principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions".
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE
FeSi2
Аннотация: By means of hybrid ab initio + model approach we show that the lattice distortions in non-magnetic α-FeSi2 can induce a magnetic state. However, we find that the distortions required for the appearance of magnetism in non-magnetic α-FeSi2 are too large to be achieved by experimental fabrication of thin films. For this reason we suggest a novel way to introduce magnetism in α-FeSi2 using “chemical pressure” that is, intercalating the α-FeSi2 films by light elements. Theoretical study of the distortions resulting from intercalation reveals that the most efficient intercalants for formation of magnetism and a high spin polarization are lithium, phosphorus and oxygen. Investigation of the dependency of the magnetic moments and spin polarisation on the intercalation atoms concentration shows that the spin polarization remains high even at small concentrations of intercalated atoms, which is extremely important for modern silicate technology.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Guo, Shaoqiang, Zhao, Jing, Molokeev M. S., Liu, Quanlin, Zhang, Junying, Xia, Zhiguo
Заглавие : Unraveling the mechanochemical synthesis and luminescence in MnII-based two-dimensional hybrid perovskite (C4H9NH3)2PbCl4
Место публикации : Sci. China Mater. - 2019. - Vol. 62, Is. 7. - P.1013-1022. - ISSN 2095-8226, DOI 10.1007/s40843-018-9404-4. - ISSN 2199-4501(eISSN)
Примечания : Cited References: 40. - The present work was supported by the National Natural Science Foundation of China (91622125, 51722202 and 51572023) and the Natural Science Foundation of Beijing (2172036), and Molokeev M acknowledges the support of the Russian Foundation for Basic Research (17-52-53031). The DFT calculation was carried out at the National Supercomputer Center in Tianjin, and the calculations were performed on TianHe-1(A).
Предметные рубрики: DOPANT ENERGY-TRANSFER
EMISSION
EXCITON
MODEL
Аннотация: The mechanochemical route is a facile and fast way and has received much attention for developing versatile advanced functional materials. Herein, we reported a mechanochemical synthesis for incorporating divalent manganese ions (MnII) into a two-dimensional (2D) hybrid perovskite (C4H9NH3)2PbCl4. The mild external stimuli originating from the grinding at room temperature enabled the formation of MnII-doped 2D hybrid perovskites, and rapidly changed the luminescence characteristics. The photoluminescence analyses show that the violet and orange emissions are attributed to (C4H9NH3)2Pb1–xMnxCl4 band-edge emission and the T1→6A1 transition of Mn2+ resulting from an efficient energy transfer process, respectively. Site preference and distribution of the doped Mn2+ cations on the locations of Pb2+ were analyzed. The formation energy calculated by the density functional theory (DFT) indicates that the Mn2+ ions can rapidly enter the crystal lattice due to the unique 2D crystal structure of the hybrid perovskite. Such a case of mechanochemical synthesis for the 2D hybrid perovskite motivates many novel emerging materials and the related applications.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Gavrichkov V. A., Sandalov I. S., Ovchinnikov S. G.
Заглавие : Proximity of Ferromagnetic Nickel to Paramagnetic Instability
Коллективы : Russian Foundation for Basic Research [16-02-00273]
Место публикации : JETP Letters. - 2019. - Vol. 109, Is. 4. - P.276-279. - ISSN 0021-3640, DOI 10.1134/S0021364019040131. - ISSN 1090-6487(eISSN)
Примечания : Cited References: 21. - This work was supported by the Russian Foundation for Basic Research (project no. 16-02-00273).
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE
Аннотация: The phase diagram of Ni in the space of the parameters has been studied within the Kanamori model with the parameters determined from comparison with ab initio calculations for ferromagnetic Ni. The proximity of Ni to the boundary of the transition to a paramagnetic state has been found.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Morozov E. V., Yushmanov, Pavel, V, Martyanov, Oleg N.
Заглавие : Temperature-Triggered Rearrangement of Asphaltene Aggregates as Revealed by Pulsed-Field Gradient NMR
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [15-19-00119]
Место публикации : Energy Fuels. - 2019. - Vol. 33, Is. 8. - P.6934-6945. - ISSN 0887-0624, DOI 10.1021/acs.energyfuels.9b00600. - ISSN 1520-5029(eISSN)
Примечания : Cited References: 119. - This research was performed using the equipment of Krasnoyarsk Regional Research Equipment Centre of Siberian Branch of Russian Academy of Sciences with the financial support of Russian Science Foundation (Project No. 15-19-00119).
Предметные рубрики: CRITICAL NANOAGGREGATE CONCENTRATION
ELECTRON-SPIN-RESONANCE
Аннотация: The tendency of asphaltenes for aggregation followed by precipitation and deposition plays a crucial role in the petroleum industry since these processes present severe problems during the production, recovery, and processing of crude oils and fossil hydrocarbon feedstocks. The dynamics of oil asphaltene aggregates dissolved in chloroform at different concentrations varied in a wide range that was investigated at temperatures from 0 to 55 °C using the Pulsed-Field Gradient NMR technique. The components attributed to nanoaggregates and macroaggregates were successfully resolved, which allowed us to measure their diffusion coefficients. The diffusion coefficients for all types of aggregates grow as the asphaltene concentration decreases, whereas the partial weight of the aggregates increases with the increase of asphaltene concentration. The difference in diffusion behavior of the aggregates of different types was registered when passing the critical concentration range 10–20 g/L. The nano- and macroaggregates behave independently when the asphaltene concentration is higher than 20 g/L (concentrated regime), while below 20 g/L (semidiluted regime) the components related to the different types of aggregates cannot be properly resolved. It was found that regardless of the asphaltene concentration, the diffusion coefficients for nano- and macroaggregates demonstrate similar temperature behavior giving the straight lines in the Arrhenius coordinates which change their slopes when passing the temperature range 20–30 °C. The phenomenon evidences the thermally induced cleavage of noncovalent bonds with subsequent rearrangement of asphaltene aggregates that is observed for all concentration regimes covering the existence of asphaltene aggregates of all types. The data obtained are well consistent with the modern concept of asphaltene aggregate structure and fairly agree with the data obtained earlier. We believe these results will contribute essentially to a better understanding of the fundamental behavior of asphaltenes and their aggregates, providing a deep insight into aggregate transformation triggered by the temperature.
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7.

Вид документа : Статья из сборника (выпуск монографической серии)
Шифр издания :
Автор(ы) : Igumenov, A. Yu, Parshin A. S., Kanzychakova V. O., Demin A. M., Andryushchenko T. A., Mikhlin, Yu L., Pehelyakov O. P., Zhigalov V. S.
Заглавие : Factor analysis of inelastic electron scattering cross section spectra of FeSi2
Коллективы : International Scientific Conference Reshetnev Readings
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng. - 2019. - Vol. 467: 21st International Scientific Conference Reshetnev Readings-2017. - Ст.012010. - , DOI 10.1088/1757-899X/467/1/012010
Примечания : Cited References: 21
Предметные рубрики: ENERGY-LOSS SPECTROSCOPY
IRON
Аннотация: Iron disilicide is widely used in creation of such nanotechnology devices as photoelectric converters. The investigation of iron silicide FeSi2 with the method of inelastic electron scattering cross-section spectroscopy was carried out. The decomposition of inelastic electron scattering cross-section spectra of FeSi2 to bulk and surface energy loss components using factor analysis was carried out. The amplitude of energy loss components can be used for identification of their origin.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Jia, Xiaofang, Guo, Shaoqiang, Molokeev M. S., Zhang, Junying, Xia, Zhiguo
Заглавие : Role of Halogen Atoms on High-Efficiency Mn2+ Emission in Two-Dimensional Hybrid Perovskites
Место публикации : J. Phys. Chem. Lett. - 2019. - Vol. 10, Is. 16. - P.4706-4712. - ISSN 1948-7185, DOI 10.1021/acs.jpclett.9b01996
Примечания : Cited References: 37. - This work is supported by the National Natural Science Foundation of China (No. 51722202 and 51572023), the Natural Science Foundations of Beijing (2172036), the Fundamental Research Funds for the Central Universities (FRF-TP-18-002C1), and the Guangdong Provincial Science & Technology Project (No. 2018A050506004).
Предметные рубрики: ENERGY-TRANSFER
LIGHT-EMISSION
DOPING MN2+
LEAD-FREE
NANOCRYSTALS
Аннотация: Doped halide pervoskites as highly efficient light emitters have recently fascinated the research community, while the influence of halogen atoms X (X = Cl, Br, I) on the hybrid energy levels and photoluminescence properties remains a challenge. Here, the role of X compositions in the two-dimensional hybrid perovskite BA2PbX4 (BA = C4H9NH3) on the doped Mn2+ emission is identified, wherein Mn2+ reveals a strong luminescence dependence on the nature of the halogen, and optimum Mn2+ emission with a record quantum yield of 60.1% has been achieved in BA2PbBr4. Density functional theory calculations show that BA2PbBr4 holds low Br vacancy concentration and unique coupled states of the Mn-3d level and Pb-6p level at the conduction band minimum, leading to efficient energy transfer from the host to Mn2+. Our work sheds new light on the methods to realize strong exciton–dopant exchange coupling for achieving high-efficiency dopant luminescence.
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9.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Aplesnin S. S., Udod L. V., Loginov Y. Y., Kretinin V. V., Masyugin A. N.
Заглавие : Influence of cation substitution on dielectric and electric properties of bismuth stannates Bi2Sn1.9Meo.1O7 (Me=Cr, Mn)
Коллективы : International Scientific Conference Reshetnev Readings 2017
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng.: IOP, 2019. - Vol. 467: 21st International Scientific Conference Reshetnev Readings 2017 (8 November 2018 through 8 November 2018) Conference code: 144163, Is. 1. - , DOI 10.1088/1757-899X/467/1/012014
Примечания : Cited References: 9. - This study was supported by the Russian Foundation for Basic Research project N 17-32-50080, the state order № 3.5743.2017/6.7.
Аннотация: The article studies effect of nonstoichiometric substitution of the tin ions by chromium and manganese ions on the dielectric and electrical properties of bismuth pyrostannate. The research performs measurements of the current-voltage characteristics, capacitance and tangent of the dielectric loss angle in the temperature range from 300 to 800 K; it finds a qualitative difference in the temperature behavior of the permittivity of bismuth pyrostannate with chromium and manganese ions. A change in the type of conductivity from hopping to tunneling emission is established. The change in the activation energy as a function of the ion radius is found.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Jiang, Xingxing, Molokeev M. S., Lin, Zheshuai, Zhao, Jing, Wang, Jing, Xia, Zhiguo
Заглавие : Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2+-Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor
Место публикации : Chem. Mater. - 2019. - Vol. 31, Is. 15. - P.5788-5795. - ISSN 0897-4756, DOI 10.1021/acs.chemmater.9b01864. - ISSN 1520-5002(eISSN)
Примечания : Cited References: 47. - This work is supported by the National Natural Science Foundation of China (nos. 51722202 and 51572023), Natural Science Foundations of Beijing (2172036), the Fundamental Research Funds for the Central Universities (FRF-TP-18-002C1), and the Guangdong Provincial Science & Technology Project (no. 2018A050506004).
Предметные рубрики: LIGHT EMISSION
PEROVSKITE NANOCRYSTALS
ENERGY-TRANSFER
STATE
Br
Аннотация: Finding new low-dimensional metal halides with broad-band emission is attracting interest in single-component phosphor for white light-emitting diodes (WLEDs). The full-spectrum white light still remains a challenge as found in the two-dimensional hybrid material (C6H18N2O2)PbBr4 exhibiting the intrinsic free exciton (FE) and broad-band self-trap exciton (STE) emission upon 365 nm ultraviolet excitation, and a combined strategy has been proposed through doping the Mn2+ ions enabling a superposition of multiple emission centers toward the ultra-broad-band warm white light. The occupation of Mn2+ in (C6H18N2O2)PbBr4 has been discussed, and optical investigations verify that the warm white-light emission of Mn2+-doped (C6H18N2O2)PbBr4 originates from the coupling effects of the FE, STEs, and the 4T1–6A1 transition of the doped Mn2+. When the concentration of Mn2+ is 5%, the emission spectrum of the phosphor covers all visible-light areas with a full width at half maximum (FWHM) of about 230 nm. The high Ra (84.9) and warm light CCT (3577 K) values of the as-fabricated WLED lamp demonstrate that (C6H18N2O2)Pb1–xMnxBr4 can be promising as single-component white-light phosphor in solid-state lighting. Our work could provide a new understanding and perspective about hybrid metal halides for designing superior phosphor toward single-component white emission.
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