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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I., Glushchenko G. A.
Заглавие : Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate
Место публикации : J. Struct. Chem.: SPRINGER, 2013. - Vol. 54, Is. 2. - P.377-382. - ISSN 0022-4766, DOI 10.1134/S0022476613020157
Примечания : Cited References: 17. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-4828.2012.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629).
Предметные рубрики: COMPLEX
Ключевые слова (''Своб.индексиров.''): crystal structure--enrofloxacinium cation--tetrabromidodichloridostannate(iv) anion--hydrogen bonds
Аннотация: A new compound EnrH(3)[SnBr3.46Cl2.54]center dot H2O, where EnrH (3) (2+) is the enrofloxacinium cation (C19H24FN3O (3) (2+) ), is synthesized and its crystal and molecular structure is determined. Crystallographic data for enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate are as follows: a = 17.1262(19) , b = 10.3435(11) , c = 17.2582(19) , beta = 119.203(1)A degrees, V = 2640.5(4) (3), space group P2(1)/c, Z = 4. Hydrogen bonds form a branched three-dimensional network linking EnrH (3) (2+) , [SnBr3.46Cl2.54](2-), and water molecules. The structure is also stabilized by the pi-pi interaction of EnrH (3) (2+) aromatic rings.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zhandun V. S., Zinenko V. I.
Заглавие : First-principles calculations of ferroelectric properties in AA`BB`O6 double perovskites with different types of cation ordering
Место публикации : Phys. status solidi B. - 2013. - Vol. 250, Is. 9. - P.1888-1897. - ISSN 0370-1972, DOI 10.1002/pssb.201349084
Ключевые слова (''Своб.индексиров.''): density functional theory--double perovskites--ferroelectrics--polarization
Аннотация: First-principles calculations of lattice dynamics and polarization properties have been performed for double perovskite ABiBNbO6 (A - alkali metal Na, Rb, and B - trivalent metal Sc, Lu). Three possible types of A- and B-site cation ordering are studied: layer and columnar ordering of A-site cations with rocksalt ordering of B-site cations, and layer ordering of both cations. The ground state of all compounds is polar with a large value of polarization for all types of cation ordering. For some compounds we obtain spontaneous polarization of 0.7-1.0Cm-2 that is twice the BaTiO3 value. For RbBiScNbO6 the lowest-energy state has layer ordering of both A- and B-site cations, which is rare for compounds with double-perovskite structure.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li G., Lin C. C., Chen W.-T., Molokeev M. S., Atuchin V. V., Chiang C.-Y., Zhou W., Wang C.-W., Li W.-H., Sheu H.-S., Chan T.-S., Ma C., Liu R.-S.
Заглавие : Photoluminescence tuning via cation substitution in oxonitridosilicate phosphors: DFT calculations, different site occupations, and luminescence mechanisms
Место публикации : Chem. Mater.: American Chemical Society, 2014. - Vol. 26, Is. 9. - P.2991-3001. - ISSN 0897-4756, DOI 10.1021/cm500844v. - ISSN 1520-5002
Примечания : Cited References: 62. - The authors would like to thank the Ministry of Science and Technology of Taiwan (Contract No. MOST 101-2113-M-002-014-MY3), the National Synchrotron Radiation Research Center, Taiwan, the National Natural Science Foundation of China (Grant No. NSFC 21301162), and the Fundamental Research Funds for the Central Universities (Grant No. CUG 130402) for financially supporting this research. Victor V. Atuchin gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support.
Предметные рубрики: LIGHT-EMITTING-DIODES
HIGH-TEMPERATURE SYNTHESIS
LED CONVERSION PHOSPHORS
CRYSTAL X-RAY
WHITE-LIGHT
ORDERED DISTRIBUTION
GREEN PHOSPHOR
LAYERED OXONITRIDOSILICATE
REAL STRUCTURE
AB-INITIO
Аннотация: Tuning and optimizing luminescent properties of oxonitridosilicates phosphors are important for white light-emitting diode (WLED) applications. To improve the color rendering index, correlated color temperature and thermal stability of layer-structured MSi2O2N2:Eu (M = Sr, Ba) phosphors, cation substitutions have been used to adjust their luminescent properties. However, the underlying mechanisms are still unclear. In this research, a series of (Sr1-xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) compounds were prepared by solid-state reaction, after which systematic emission variations were investigated. The crystal structures of (Sr1-xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) are nominally divided into three sections, namely, Phase 1 (0 ≤ x ≤ 0.65), Phase 2 (0.65 x 0.80), and Phase 3 (0.80 ≤ x ≤ 1) based on the X-ray diffraction measurements. These experimental results are further confirmed by optimizing the crystal structure data with first-principle calculations. Continuous luminescence adjustments from green to yellow are observed in Phase 1 with gradual replacement of Sr2+ with Ba2+, and the abnormal redshift is clarified through extended X-ray absorption fine structure analysis. Sr(Eu)-O/N bond length shrinkage in local structure causes the redshift emission, and the corresponding luminescence mechanism is proposed. Controllable luminescence in Phase 2 (from blue to white) and Phase 3 (from cyan to yellowish green) are observed. Based on the high-resolution transmission electron microscopy and selected area electron diffraction analysis, the two kinds of luminescence tuning are attributed to phase segregation. This study serves as a guide in developing oxonitride luminescent materials with controllable optical properties based on variations in local coordination environments through cation substitutions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ji H. P., Huang Z. H., Xia, Zhiguo, Molokeev M. S., Atuchin V. V., Huang S. F.
Заглавие : Cation substitution dependent bimodal photoluminescence in whitlockite structural Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors
Место публикации : Inorg. Chem.: American Chemical Society, 2014. - Vol. 53, Is. 20. - P.11119-11124. - ISSN 0020-1669, DOI 10.1021/ic501679f. - ISSN 1520-510X
Примечания : Cited References: 37. - This work was supported by the National Natural Science Foundations of China (Grant Nos. 51032007, 51002146, 51272242), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20130022110006), the Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), and Beijing Youth Excellent Talent Program (YETP0635). V.V.A. acknowledges the Ministry of Education and Science of the Russian Federation for financial support.
Предметные рубрики: LIGHT-EMITTING-DIODES
EFFICIENT ENERGY-TRANSFER
EMISSION-TUNABLE PHOSPHOR
EXCITED WHITE LEDS
CRYSTAL-STRUCTURE
LUMINESCENCE PROPERTIES
Mn2+ PHOSPHOR
COLOR TONE
PHASE
Eu2+
Аннотация: Cation substitution dependent tunable bimodal photoluminescence behavior was observed in the Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors. The Rietveld refinements verified the phase purity and whitlockite type crystal structure of the solid solutions. The tunable photoluminescence evolution was studied as a function of strontium content, over the composition range 0.1 ≤ x ≤ 2. In addition to the emission band peak at 416 nm in Ca3(PO4)2:Eu2+, the substitution of Ca2+ by Sr2+ induced the emerging broad-band peak at 493-532 nm. A dramatic red shift of the emission peak located in the green-yellow region was observed on an increase of x in the samples with 0.75 ≤ x ≤ 2.00. The two emission bands could be related to the EuOn-Ca9 and EuOn-Ca9-xSrx emitting blocks, respectively. The values for the two kinds of emitting blocks in the solid solutions can be fitted well with the observed intensity evolution of the two emission peaks.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Wang Z. Y., Xia, Zhiguo, Molokeev M. S., Atuchin V. V., Liu Q. L.
Заглавие : Blue-shift of Eu2+ emission in (Ba,Sr)3Lu(PO4)3:Eu2+ eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2014. - Vol. 43, Is. 44. - P.16800-16804. - ISSN 1477-9226, DOI 10.1039/c4dt02319f. - ISSN 1477-9234
Примечания : Cited References: 16. - The present work was supported by the National Natural Science Foundations of China (grant no. 51002146, no. 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in the University of the Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635) and the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306). V.V.A. is partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: TUNABLE COLOR TONE
EXCITED WHITE LEDS
CRYSTAL-STRUCTURE
TEMPERATURE
IONS
Аннотация: A series of iso-structural eulytite-type (Ba,Sr)(3)Lu(PO4)(3):Eu2+ solid-solution phosphors with different Sr/Ba ratios were synthesized by a solid-state reaction. Crystal structures of (Ba,Sr)(3)Lu(PO4)(3):Eu2+ were resolved by the Rietveld method, which shows an eulytite-type cubic Bi-4(SiO4)(3) structure with cations disordered in a single C-3 site while the oxygen atoms were distributed over two partially occupied sites. The emission peaks of Ba(3-x)SrxLu(PO4)(3):Eu2+ (0
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ryabinkina L. I., Romanova O. B., Kisilev N. I.
Заглавие : Magnetotranport properties of cation-substituted sulphides VXMn1-XS
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова
Место публикации : Moscow Int. Symp. on Magnet. (MISM-2014): Book of abstracts. - 2014. - Ст.1PO-K-11. - P.544. - ISBN 978-5-91978-025-0
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Beznosikov B. V., Aleksandrov K. S.
Заглавие : Prediction of pra-phases of layered perovskite-like structures with cation vacancies
Место публикации : J. Struct. Chem. - 2002. - Vol. 43, Is. 1. - P.172-175. - ISSN 0022-4766, DOI 10.1023/A:1016098521933
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ji, Haipeng, Huang, Zhaohui, Xia, Zhiguo, Molokeev M. S., Atuchin V. V., Fang, Minghao, Liu, Yangai
Заглавие : Discovery of new solid solution phosphors via cation substitution-dependent phase transition in M-3(PO4)2:Eu2+ (M =Ca/Sr/Ba) quasi-binary sets
Место публикации : J. Phys. Chem. C: American Chemical Society, 2015. - Vol. 119, Is. 4. - P.2038-2045. - ISSN 1932-7447, DOI 10.1021/jp509743r
Примечания : Cited References:48. - This work was supported by the National Natural Science Foundations ofChina (Grant Nos. 51032007, 51002146, and 51272242), the Research Fundfor the Doctoral Program of Higher Education of China (Grant No.20130022110006), the Natural Science Foundations of Beijing (2132050),the Program for New Century Excellent Talents in University of Ministryof Education of China (NCET-12-0950), the Beijing Nova Program(Z131103000413047), and Beijing Youth Excellent Talent Program(YETP0635). V.V.A. acknowledges the Ministry of Education and Science ofthe Russian Federation for financial support.
Предметные рубрики: LIGHT-EMITTING-DIODES
LUMINESCENCE PROPERTIES
ENERGY-TRANSFER
Аннотация: The cation substitution-dependent phase transition was used as a strategy to discover new solid solution phosphors and to efficiently tune the luminescence property of divalent europium (Eu2+) in the M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) quasi-binary sets. Several new phosphors including the greenish-white SrCa2(PO4)2:Eu2+, the yellow Sr2Ca(PO4)2:Eu2+, and the cyan Ba2Ca(PO4)2:Eu2+ were reported, and the drastic red shift of the emission toward the phase transition point was discussed. Different behavior of luminescence evolution in response to structural variation was verified among the three M3(PO4)2:Eu2+ joins. Sr3(PO4)2 and Ba3(PO4)2 form a continuous isostructural solid solution set in which Eu2+ exhibits a similar symmetric narrow-band blue emission centered at 416 nm, whereas Sr2+ substituting Ca2+ in Ca3(PO4)2 induces a composition-dependent phase transition and the peaking emission gets red shifted to 527 nm approaching the phase transition point. In the Ca3?xBax(PO4)2:Eu2+ set, the validity of crystallochemical design of phosphor between the phase transition boundary was further verified. This cation substitution strategy may assist in developing new phosphors with controllably tuned optical properties based on the phase transition.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Romanova O. B., Khar'kov A. M., Galyas A. I.
Заглавие : Investigation of the transport properties of cation-substituted solid solutions Yb x Mn1 − x S
Коллективы : Russian Foundation for Basic Research [12-02-00125_a, 15-02-01445_a]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 57, Is. 5. - P.886-890. - ISSN 1063, DOI 10.1134/S1063783415050029. - ISSN 10906460(eISSN)
Примечания : Cited References:18. - This study was supported by the Russian Foundation for Basic Research (project nos. 12-02-00125_a and 15-02-01445_a).
Предметные рубрики: ELECTRICAL-PROPERTIES
TRANSITION
GD
Аннотация: The electrical properties and thermopower of solid solutions Yb x Mn1 − x S with substitution concentrations 0 x ≤ 0.2 have been studied in the temperature range of 77–1050 K. It has been found that the electrical conductivity has a semiconducting character, and the thermopower changes its sign from positive to negative as the substitution concentration in Yb x Mn1 − x S increases. It has been established that the activation energy decreases with increasing ytterbium concentration. The model of impurity donor 4f states satisfactorily agrees with the data on the electrical resistivity and the thermopower.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Романова, Оксана Борисовна, Харьков, Анатолий Михайлович, Ситников, Максим Николаевич, Кретинин В. В.
Заглавие : Переход металл-диэлектрик в катион-замещенных соединениях ReхMn1-xS (Re = Gd, Sm, Ho)
Место публикации : Вестник СибГАУ. - Красноярск: СибГАУ, 2015. - Т. 16, № 2. - С. 478-484. - ISSN 1816-9724 (Шифр В22/2015/16/2)
Примечания : Библиогр.: 38. - Работа выполнена при финансовой поддержке РФФИ № 15-42-04099 р_Cибирь_а и государственного задания № 114090470016.
Ключевые слова (''Своб.индексиров.''): сульфиды редкоземельных элементов--проводимость--переход металл-диэлектрик--термоэдс--sulfides of rare-earth elements--conductivity--transition metal-insulator--thermoelectric power
Аннотация: Представлены результаты исследования транспортных свойств катион-замещенных сульфидов RexMn1-xS (Re = Gd, Sm, Ho) с ГЦК-решеткой типа NaCl в области температур 77-1200 К. С увеличением степени катионного замещения в этих соединениях RexMn1-xS (Re = Gd, Sm, Ho) изменяется тип проводимости от полупроводникового до металлического при критической концентрации Х С. Концентрационный переход металл-диэлектрик в системе Gd XMn 1-XS сопровождается уменьшением величины удельного электросопротивления на 12 порядков и коэффициента термоЭДС (α) на два порядка. Катионное замещение в твердых растворах GdxMn1-xS приводит к смене дырочного типа проводимости (α 0), свойственного моносульфиду марганца, на электронный (α 0). Уменьшение величины α с увеличением содержания гадолиния в решетке MnS указывает на то, что Gd действует как донорная примесь. Для Sm 0,2Mn 0,8S обнаружен резкий максимум сопротивления при Т This paper presents the results of a study of the transport properties of cation-substituted sulfides Re XMn 1-XS (Re = = Gd, Sm, Ho) with FCC NaCl type in the temperature range 77-1200 K. With increasing degree of cation substitution in these compounds Re XMn 1- ХS (Re = Gd, Sm, Ho) the conductivity type changes from the semiconductor to the «metal» at the critical concentration X C. The concentration of metal-insulator transition in the system Gd XMn 1-XS is accompanied by a decreasing in the electrical resistivity of value on 12 orders and Seebeck coefficient (α) is on two orders. The cation-substitution in the solid solutions Gd XMn 1-XS leads to p-type conductivity (α 0), as comprising to electronic (α 0) for manganese monosulfide. Decrease of α with increasing gadolinium concentration in the MnS lattice indicates that the Gd acts as a donor impurity. For Sm 0,2Mn0,8S a maximum resistance at T
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