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

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P. B., Avramov P.V., Yakobson B.I., Chernozatonskii L.A.
Заглавие : Magnesium Boride Nanotubes: Relative Stability and Atomic and Electronic Structure
Место публикации : J. Phys. Chem. C. - 2010. - Vol. 114, Is. 11. - P.4852-4856. - MAR 25. - ISSN 1932-7447, DOI 10.1021/jp9112014
Примечания : Cited Reference Count: 38. - Гранты: P.B.S. and B.I.Y. acknowledge support by the Basic Energy Sciences division of the Department of Energy, award DE-SC0001479. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A ad P.B.S. also acknowledge the collaborative RFBR-JSPS grant No. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial ChemCraft software (http://www.chemcraftprog.com).Финансирующая организация: Basic Energy Sciences division of the Department of Energy [DE-SC0001479]; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-RPhi]
Предметные рубрики: BORON
PSEUDOPOTENTIALS
FULLERENES
SIMULATION
FORM
Ключевые слова (''Своб.индексиров.''): basic composition--bending behavior--comparative studies--diborides--energy analysis--energy minima--magnesium atom--magnesium boride--mgb2--relative stabilities--semiconducting behavior--small-diameter--staggered configuration--sub-lattices--bending (forming)--borides--boron--electronic properties--electronic structure--energy management--magnesium--nanotubes--density functional theory
Аннотация: A comparative study of file energies and the electronic structure of MgBx nanotubes is performed within the framework of the density functional theory. Different basic compositions (x = 2 for diboride and x = 3 for triboride) and different diameters (3 angstrom D 18 angstrom), as well the exterior, interior, and staggered placement of magnesium atoms, are considered. Energy analysis reveals a nontrivial bending behavior of the MgB2 sheets. such that the tubes with exterior and staggered configurations display the energy minima at certain small diameters (of the boron cage sublattice). The semiconducting behavior of narrow MgB2 nanotubes with exterior Mg position was observed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin Y. L., Borisov R. V., Vorobyev S. A., Tomashevich Y. V., Romanchenko A. S., Likhatski M. N., Karacharov A. A., Bayukov O. A., Knyazev Yu. V., Velikanov D. A., Zharkov S. M., Krylov A. S., Krylova S. N., Nemtsev I. V.
Заглавие : Synthesis and characterization of nanoscale composite particles formed by 2D layers of Cu-Fe sulfide and Mg-based hydroxide
Место публикации : J. Mater. Chem. A. - 2022. - Vol. 10, Is. 17. - P.9621-9634. - ISSN 20507488 (ISSN), DOI 10.1039/d2ta00877g
Примечания : Cited References: 84. - This research was supported by the Russian Foundation for Basic Research, Krasnoyarsk Territory Administration and Krasnoyarsk Territory Science Foundation, project 20-43-242903. Facilities of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” were employed in the work
Аннотация: We introduce here a multifunctional material composed of alternating atomic sulfide sheets close to the composition of CuFeS2 and Mg-based hydroxide ones (valleriite), which are assembled due to their electric charges of opposite sign. Valleriite particles 50-200 nm in lateral size and 10-20 nm in thickness were synthesized via a simple hydrothermal pathway using various concentrations of precursors and dopants, and examined with XRD, TEM, EDS, X-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy (REELS), Mossbauer, Raman and UV-vis-NIR spectroscopies, and magnetization, dynamic light scattering, and zeta potential measurements. The electronic, magnetic and optical characteristics are found to be critically dependent on the charge (electron density) at the narrow-gap sulfide layers containing Cu+ and Fe3+ cations, and can be tuned via the composition of the hydroxide part. Particularly, substitution of Mg2+ with Al3+ increases the negative charge of the hydroxide layers and reduces the content of Fe3+-OH centers (10-45% of total iron); the effects of Cr and Co dopants entering both layers are more complicated. Mossbauer doublets of paramagnetic Fe3+ detected at room temperature transform into several Zeeman sextets at 4.2 K; the hyperfine fields up to 500 kOe and complex magnetic behavior, but not pure paramagnetism or antiferromagnetism, were observed for valleriites with the higher positive charge of the sulfide sheets, probably due to the depopulation of the minority-spin 3d states of S-bonded Fe3+ ions. Aqueous colloids of valleriite show optical absorption at 500-750 nm, which, along with the peaks at the same energies in REELS, may arise due to quasi-static dielectric resonance involving the vacant Fe 3d band and being dependent on the composition of both layers too. These and other findings call attention to valleriites as a new rich family of 2D materials for a variety of potential applications.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryainov, Sergey, V, Tse, John S., Desgreniers, Serge, Kawaguchi, Saori, I, Pan, Yuanming, Likhacheva, Anna Yu, Molokeev M. S.
Заглавие : In situ X-ray diffraction study of chrysotile at high P–T conditions: transformation to the 3.65 Å phase
Коллективы : Ministry of Science and Higher Education of the Russian Federation; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [21-55-14001]; Natural Science and Engineering Council CanadaNatural Sciences and Engineering Research Council of Canada (NSERC)
Место публикации : Phys. Chem. Miner. - 2021. - Vol. 48, Is. 10. - Ст.36. - ISSN 0342-1791, DOI 10.1007/s00269-021-01160-8. - ISSN 1432-2021(eISSN)
Примечания : Cited References: 68. - This work was performed under the auspicious of the state assignment of IGM SB RAS supported by Ministry of Science and Higher Education of the Russian Federation. The Russian Foundation for Basic Research (project no.21-55-14001) is gratefully acknowledged. Authors thank S.V. Rashchenko for fruitful discussion on XRD diffraction patterns of the talc-water system. We thank SPring-8 Synchrotron Radiation Facilities and BLXU-10 beamline for providing the synchrotron beam-time. JST, SD and YP would like to thank Natural Science and Engineering Council Canada for the award of individual Discovery Grants
Предметные рубрики: HIGH-PRESSURE STABILITY
HYDROUS MAGNESIUM SILICATES
SYSTEM MGO-SIO2-H2O MSH
Аннотация: The behavior of chrysotile Mg3(Si2O5)(OH)4 in water medium at simultaneously high pressure and high temperature was studied by in situ synchrotron X-ray diffraction using a diamond anvil cell. In contrast to previous ‘dry’ experiments, chrysotile in water-saturated conditions undergoes two-phase transitions and exhibits higher thermal stability. At 260 °C / 3.7 GPa the initial chrysotile (phase I) transforms to the ‘chrysotile-like’ phase II, followed by the appearance of the ‘chrysotile-like’ phase III at 405 °C / 5.25 GPa. Phase III is characterized by enlarged interlayer distances, presumably resulting from the H2O intercalation into the interlayer space. During further compression, the ‘chrysotile-like’ phase III is decomposed to the 10 Å phase Mg3(Si4O10)(OH)2·xH2O, the 3.65 Å phase MgSi(OH)6, phase D, forsterite, enstatite and coesite or stishovite. The 3.65 Å phase appears at 8.8 GPa / 500 °C. The series of transformations leads to a water deficiency in the system, restricting the complete transformation from the 10 Å phase to the 3.65 Å phase. These data emphasize the crucial role of excess water in the stabilization of the high-pressure hydrous phases. The present study is the first in situ observation of sequential transformations of hydrous phases: serpentine → 10 Å phase → 3.65 Å phase, important as a potential water transport mechanism to the deep mantle.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Borodina U., Goryainov S., Oreshonkov A. S., Shatskiy A., Rashchenko S.
Заглавие : Raman study of 3.65 A-phase MgSi(OH)6 under high pressure and the bands assignment
Место публикации : High Pressure Res. - 2020. - Vol. 40. Is. 4. - P.495-510. - ISSN 08957959 (ISSN), DOI 10.1080/08957959.2020.1830078
Примечания : Cited References: 43. - This work was supported by the Russian Federation state assignment of Institute of Geology and Mineralogy of SB RAS and Institute of Physics of Federal Research Center KSC SB RAS and the Russian Foundation for Basic Research (Grant No. 18-05-00966)
Аннотация: 3.65 Å-phase (or hydroxide-perovskite), MgSi(OH)6, is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to ∼35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 Å-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to ∼7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O–O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O–H···O. Upon the pressure increase, octahedral and bending δ(ОН) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the ОН-stretching modes show inverse pressure dependence.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Nikolaev N. S., Elesina V. I., Glushenko G. A., Isakova V. G., Tomashevich Y. V.
Заглавие : Obtaining particles with the structure Mg@C and (Mg@C)@Pd, their properties and stability in the hydrogenation/dehydrogenation processes
Место публикации : Int. J. Hydrogen Energy. - 2022. - Vol. 47. Is. 11. - P.7299-7309. - ISSN 03603199 (ISSN), DOI 10.1016/j.ijhydene.2021.03.042
Примечания : Cited References: 46
Аннотация: In this work, we studied the change in the properties of powders with a core (magnesium) – shell structure (carbon and carbon/palladium) in the process of hydrogenation/dehydrogenation with hydrogen (99.995 wt%). Magnesium powders were obtained by plasma chemical synthesis in an atmosphere of argon containing a small amount of hydrogen (2–3 at.%) and nitrogen (8–9 at.%), when performing a low-frequency arc discharge between a tungsten electrode and a magnesium melt. The shell (carbon and carbon/palladium) was deposited in a plasma generator with vortex and magnetic stabilization. For all samples, a decrease in the sorption capacity of hydrogen was observed as a result of successive cycles of sorption and desorption reactions. It was found that the reason for this fall is associated with the formation of the MgO and Mg(OH)2 phase, which prevents the diffusion of hydrogen. The carbon shell provides a more complete hydrogenation of the magnesium particles, and an additional palladium shell increases the resistance to cyclic hydrogenation/dehydrogenation and reduces the temperature of these processes. According to the data obtained, powders with particles (Mg@C)@Pd can absorb the largest amount of hydrogen (6.9 wt%) for the duration of 5 cycles, after which the protective shell of the particles begins to collapse and a loss of sorption capacity is observed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman, Victoria G., Molokeev M. S., Bazarov, Bair G., Bazarova, Jibzema G.
Заглавие : Synthesis and characterization of a new magnesium molybdates Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) with a langbeinite type structure
Место публикации : Solid State Sci. - 2023. - Vol. 142. - Ст.107249. - ISSN 12932558 (ISSN), DOI 10.1016/j.solidstatesciences.2023.107249. - ISSN 18733085 (eISSN)
Примечания : Cited References: 39. - This work was supported by the state order of BINM SB RAS (0273-2021-0008). Research was conducted using equipment of the CCU BINM SB RAS. Some experiments were obtained with use the analytical equipment of analytical equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”. M.S. Molokeev's work was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030″ for the Siberian Federal University
Аннотация: In this work we have successfully synthesized pure phases of Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) langbeinite powders using the solid-state reaction method. Structural characterization was carried out via the Rietveld method on the X-ray powder diffraction data. The following unit cell parameters are calculated for Tl1.85K0.15Mg2(MoO4)3: a = 10.68509(16) A, V = 1219.93(6) A3, and for Tl1.85Rb0.15Mg2(MoO4)3: a = 10.69463(9) A, V = 1223.20(3) A3. The electrical conductivity was studied by impedance spectroscopy in the [473–1010 K] temperature range and results show that the Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) were ionic solid electrolyte conductors. Results also show that Tl1.85K0.15Mg2(MoO4)3 has the highest electrical conductivity.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Novikova G. V., Tsyplenkova D. I., Kuzubov A. A., Kolenchukova O. A., Samoilo A. S., Vorobyev S. A.
Заглавие : Complex of ceftriaxone with Mg(II): Synthesis, structure, spectral and antibacterial properties
Колич.характеристики :11 с
Место публикации : J. Sib. Fed. Univ. Chem. - 2023. - Vol. 16, Is. 1. - P.5-15. - ISSN 19982836 (ISSN); Журн. СФУ. Химия. - ISSN 23136049 (eISSN)
Примечания : Cited References: 28. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20–43–240007
Аннотация: Magnesium complex of ceftriaxone was obtained and characterized by atomic-emission and elemental analysis, TGA, FTIR and Raman spectroscopy, X-ray diffraction and density functional theory calculations. Ceftriaxone was coordinated to the magnesium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and oxygen atoms of the lactam carbonyl and carboxylate groups. The disodium salt of ceftriaxone and magnesium complex were screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.Получен и охарактеризован магниевый комплекс цефтриаксона методами атомно-эмиссионного и элементного анализов, ТГА, ИК- и КР‑спектроскопии, РФА и расчетов теории функционала плотности. Цефтриаксон координируется к иону магния через кислород триазинового цикла в шестом положении, азот аминогруппы тиазольного цикла и атомы кислорода карбоксильной и лактамной групп. Динатриевая соль цефтриаксона и комплекс магния были исследованы на антибактериальную активность в отношении Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin, Yuri L., Borisov, Roman V., Likhatski, Maxim N., Bayukov O. A., Knyazev Yu. V., Zharkov S. M., Vorobyev, Sergey A., Tomashevich, Yevgeny V., Ivaneeva, Anastasiya D., Karacharov, Anton A., Karpov, Denis V., Velikanov D. A., Rautskii M. V., Smolyakov D. A., Tarasov A. S.
Заглавие : Facile synthesis and selected characteristics of two-dimensional material composed of iron sulfide and magnesium-based hydroxide layers (tochilinite)
Место публикации : New J. Chem. - 2023. - Vol. 47, Is. 25. - P.11869-11881. - ISSN 11440546 (ISSN), DOI 10.1039/D3NJ00758H. - ISSN 13699261 (eISSN)
Примечания : Cited References: 97. - This research was financially supported by the Russian Science Foundation, project 22-13-00321
Аннотация: We report here a simple hydrothermal synthesis of 100–200 nm flakes of tochilinite (Fe1−xS)·n(Mg,Fe)(OH)2 constructed by interchanging atomic sulfide and hydroxide sheets as a representative of a new platform of multifunctional two-dimensional materials. The reliable formation of tochilinites was ensured by an excess of sodium sulfide, with the assembly of the metal sulfide and hydroxide sheets driven by their opposite electric charges. X-ray photoelectron spectroscopy found that the hydroxide layers involved Fe3+ cations from 10 to 40% of total iron tuned by addition of Al and Li entering the layers; the Fe1−xS sheets comprised comparable amounts of high-spin Fe3+ and Fe2+ centers, and minor S–S bonding. The room-temperature Mössbauer spectra fitted with several doublets (chemical shift of 0.35–0.4 mm s−1 and varying quadrupole splitting) transformed to three six-line patterns (hyperfine fields of ∼290, 350 and 480 kOe) due to magnetic ordering at 4.2 K, albeit the paramagnetic behavior observed in SQUID experiments. A series of UV-vis absorption maxima were explained in terms of both the high-index all-dielectric Mie resonance, in line with the permittivity measurement data, and the ligand-metal charge transfer resembling that in Fe–S clusters in proteins. Prospective properties and applications of the materials are discussed.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Fedorov A. S., Churilov G. N., Kuzubov A.A., Serjantova M.V.
Заглавие : Ab-initio investigation of hydrogen absorption by magnesium nanoparticles
Коллективы : "Carbon Nanomaterials in Clean-Energy Hydrogen Systems", national conference
Место публикации : Carbon Nanomaterials in Clean-Energy Hydrogen Systems: Proceedings of the NATO Advanced Research Workshop on Using Carbon Nanomaterials in Clean-Energy Hydrogen Systems Sudak, Crimea, Ukraine 22–28 September 2007/ red. Baranowski, B.; Zaginaichenko, S.; Schur, D.; Skorokhod, V.; Veziroglu, A.: Springer, 2008. - С. 603-610. - (SNATO Science for Peace and Security Series Subseries: NATO Science for Peace and Security Series C: Environmental Security). - ISBN 1874-6519, DOI 10.1007/978-1-4020-8898-8_75
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sorokin P. B., Chernozatonskii L. A., Yakobson B. I.
Заглавие : Theoretical study of atomic and electronic struc?ture of magnesium diboride single-wall nanotubes
Коллективы : International Winterschool on Electronic Properties of Novel Materials
Место публикации : 23rd International Winterschool on: Electronic Properties of Novel Materials: "Molecular nanostructures": Kirchberg/Tirol, Austria, 7 – 14 March 2009. - С. 155
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Nikolaev N. S., Osipova I. V., Cherepakhin A. V., Nemtsev I. V., Velikanov D. A., Andyuseva V. G.
Заглавие : Core-shell Nanosize Particles Mg@Ni: Synthesis and Properties
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2019. - Vol. 12, Is. 1. - P.28-35. - ISSN 1997-1397, DOI 10.17516/1997-1397-2019-12-1-28-35; \b Журнал СФУ. Математика и физика. - ISSN 2313-6022(eISSN)
Примечания : Cited References: 12
Ключевые слова (''Своб.индексиров.''): core-shell--nanopartials--nickel-magnesium--synthesis in plasma--surface coating--частицы ядро–оболочка--наночастицы--никель-магниевые частицы--плазмохимический синтез--покрытие поверхности частицы
Аннотация: In this paper, we study particles with metallic core (magnesium) - metal shell (nickel) structure, synthesized in metal-containing plasma of high frequency arc discharge. X-ray diffraction analysis, X-ray fluorescence analysis and scanning electron microscopy show that the particles have a uniform nickel shell, which is also indirectly confirmed by comparing the results of hydrogenation of Mg and Mg@Ni particles. Measurement of volume magnetization indicates that shell thickness of most particles is not more than 22 nm.В данной работе исследованы частицы со структурой металлическое ядро (магний) - металлическая оболочка (никель), полученные в металлсодержащей высокочастотной плазме дугового разряда. Методами рентгенофазового анализа, рентгенофлуоресцентного анализа, сканирующей электронной микроскопии показано, что частицы имеют сплошную никелевую оболочку, что также косвенно подтверждается сравнением результатов гидрирования частиц Mg и Mg@Ni. С помощью измерений объемной намагниченности установлено, что наибольшая часть частиц имеет толщину оболочек не более 22 нм.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Kuklin A. V., Kovaleva E. A., Kholtobina A. S.
Заглавие : Theoretical investigation of the adsorption and diffusion of hydrogen on the surface and in the bulk of the intermetallic compound Mg2Ni
Место публикации : Phys. Solid State: Pleiades Publishing, 2014. - Vol. 56, Is. 10. - P.2035-2042. - ISSN 1063-7834, DOI 10.1134/S1063783414100187. - ISSN 1090-6460
Примечания : Cited References: 30
Предметные рубрики: STORAGE MATERIAL Mg2NiH4
INITIO MOLECULAR-DYNAMICS
AUGMENTED-WAVE METHOD
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
TEMPERATURE STRUCTURE
SADDLE-POINTS
ALLOYS
TRANSITION
MAGNESIUM
Аннотация: The intermetallic compound Mg2Ni as a potential material for hydrogen storage has been investigated theoretically. The sorption and diffusion of a hydrogen atom in the bulk and on the surface of this material, as well as the step-by-step process of dissociative chemisorption of a H-2 molecule on the surface, have been considered. The dependence of the sorption energy of atomic hydrogen on the structural characteristics of the intermetallic compound Mg2Ni has been analyzed.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Osipova I. V., Tomashevich Y. V., Glushchenko G. A., Fedorov A. S., Popov Z. I., Bulina N. V., Vereshchagin S. N., Zhizhaev A. M., Cherepakhin A. V.
Заглавие : Hydrogenation of the Nanopowders That Form in a Carbon-Helium Plasma Stream during the Introduction of Ni and Mg
Разночтения заглавия :авие SCOPUS: Hydrogenation of the nanopowders that form in a carbon-helium plasma stream during the introduction of ni and Mg
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 113, Is. 6. - P1057-1062. - ISSN 1063-7761, DOI 10.1134/S1063776111140135
Примечания : Cited References: 9. - This work was supported by the Russian Foundation for Basic Research, project no. 09-03-00383-a.
Ключевые слова (''Своб.индексиров.''): carbon atoms--composite nanoparticles--high temperature--hydrogen absorption--hydrogen atoms--island growth--magnesium hydride--magnesium surface--nano powders--nickel atoms--plasma streams--atoms--carbon--composite materials--density functional theory--electron beams--helium--hydrogen--hydrogenation--nanoparticles--nickel--scanning electron microscopy--thermogravimetric analysis--x ray photoelectron spectroscopy--magnesium
Аннотация: Composite nanoparticles consisting of magnesium, nickel, and carbon atoms are studied both theoretically and experimentally. The calculations performed in terms of the density functional theory show that the jump frequency of hydrogen atoms in nickel-containing magnesium hydride increases substantially near impurity nickel atoms; as a result, the rate of hydrogen absorption by magnesium also increases. Nickel on the magnesium surface is shown to be absorbed via an island growth mechanism. Composite Mg-C, Ni-C, and Mg-Ni-C powders are produced by plasmachemical synthesis in a carbon-helium plasma stream. Hydrogen is introduced into a chamber during synthesis. It is found by X-ray photoelectron spectroscopy and thermogravimetric analysis that, among these three composites, only Mg-Ni-C contains magnesium fixed in the MgH2 compound. The process of such "ultrarapid" hydrogenation of magnesium, which occurs in the time of formation of composite nanoparticles, can be explained by the catalytic action of nickel, which is enhanced by a high temperature. Scanning electron microscopy micrographs demonstrate the dynamics of the dehydrogenation of Mg-Ni-C composite nanoparticles in heating by an electron beam.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrov M. I., Balaev D. A., Shaikhutdinov K. A., Aleksandrov K. S.
Заглавие : A comparative study of transport properties of composites HTSC+MgTiO3 and HTSC + NiTiO3. The effect of paramagnetic NiTiO3
Коллективы : International conference on materials and mechanisms of superconductivity high temperature superconductors
Место публикации : Physica C-Superconductivity and its Applications. - 2000. - Vol. 341-348, Pt. 3. - P.1863-1864. - ISSN 0921-4534, DOI 10.1016/S0921-4534(00)01217-X
Ключевые слова (''Своб.индексиров.''): composite materials--copper oxides--josephson junction devices--magnesium compounds--nickel compounds--paramagnetism--superconductivity--thermal effects--transport properties--yttrium compounds--abrikosov vortices flow--superconductor insulator superconductor junction--thermally activated phase slippage--high temperature superconductors
Аннотация: Bulk composites Y3/4Lu1/4Ba2Cu3O7+NiTiO3 and Y3/4Lu1/4Ba2Cu3O7+MgTiO3 with insulator volume content 7.5% and 15% modelling a network of Superconductor-Insulator-Superconductor (S-I-S) junctions have been prepared. The ?(T) dependences of composites HTSC+MgTiO3 are described well by the mechanism of Thermally Activated Phase Slippage (TAPS). The anomalous behavior of resistivity ?(T) of HTSC+NiTiO3 composites manifesting as a kink on ?(T) curves at some temperature Tm have been observed. In the temperature range Tm < T < TC the dissipation is Ohmic while below Tm the CVCs are strongly non-linear. This peculiarity is interpreted as arisen owing to Abrikosov vortices flow.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Krasnov P. O., Lykhin A. O., Tikhonova L. V.
Заглавие : Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material
Место публикации : J. Alloys Compd.: Elsevier Science, 2014. - Vol. 609. - P.93-99. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2014.04.160. - ISSN 1873-4669
Примечания : Cited References: 38
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
AUGMENTED-WAVE METHOD
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
METAL-HYDRIDES
SADDLE-POINTS
MAGNESIUM
Mg
TRANSITION
Pd
Ключевые слова (''Своб.индексиров.''): hydrogen absorbing materials--intermetallics--diffusion--dft--mg-based hydride
Аннотация: A detailed study of Ni-doped Mg(0 0 0 1) surface performed by PAW method and the gradient corrected density functional GGA-PBE within the framework of generalized Kohn–Sham density functional theory (DFT) is presented in this work. Structural and electronic properties of magnesium surface interaction with nickel for the purpose of such compounds use for creation of hydrogen storage matrixes were investigated here. Choice of the PBE functional was caused by the good accordance of its prediction of the cell parameters with experimental results. It was shown that Ni atoms prefer to substitute for Mg atoms. Using NEB method, the diffusion barrier was calculated, and the most probable reaction path was established. In particular, when the Ni atom dopes the magnesium surface, it can migrate to the bulk and substitute for Mg in subsurface layers. Also a possibility of nickel cluster formation on clean surface of magnesium was examined. The kinetic factors hinder the movement of the nickel atoms to each other and make problematic the formation of clusters. The studies presented here showed that the diffusion barriers of the nickel atom migration from the cluster on the surface to the bulk of magnesium are 1.179 eV and 1.211 eV for the forward and reverse reactions, respectively. Therefore an improvement of the hydrogenation properties of Ni-doped magnesium surface depends on deposition not of the individual atoms, but their clusters. Hydrogenation of Ni cluster doping the magnesium surface was investigated. Initially Kubas complexes arise on the Ni cluster with hydrogen–hydrogen bond lengths equal to 0.80–0.87 Å. Next the cluster needs to be saturated by hydrogen atoms to allow them later to migrate from cluster to magnesium.
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16.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Мельникова Е. И., Колоненко, Андрей Леонидович, Глущенко, Гарий Анатольевич, Осипова, Ирина Владимировна, Чурилов, Григорий Николаевич
Заглавие : Плазменный методы получения пористых порошков магния с высокой сорбционной емкостью по водороду и устойчивостью к рециклированию
Коллективы : Национальная Академия наук Украины, Российская академия наук, Национальная Академия наук Беларуси, Украинское материаловедческое общество, Институт проблем материаловедения им. И.Н. Францевича НАН Украины, Институт высоких температур РАН, Московский государственный технический университет им. Н.Э. Баумана, Институт тепло- и массообмена им. А.В. Лыкова НАН Беларуси, ИНТЕМ, ООО, "Материалы и покрытия в экстремальных условиях: исследования, применение, экологически чистые технологии производства и утилизации изделий", международная конференция (8; 22-26 сент. 2014 г.; Киев), "Materials and Coatings for Extreme Performances: Investigations, Applications, Ecologically Safe Technologies for Their Production and Utilization", International Conference (8; 22-26 Sept. 2014; Kiev, Ukraine)
Место публикации : Восьмая междунар. конф. "Матер. и покрытия в экстрем. условиях: исслед., прим., экологически чистые технол. произв-ва и утилизации изделий": Тез. конф. - 2014. - P.67
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Melnikova E. I., Kolonenko A. L., Glushenko G. A., Vnukova N. G., Churilov G. N., Zhizhaev A. M.
Заглавие : Nanodispersed Mg-based powders received in a hydrogen-argon plasma flow and estimation of their application prospects as hydrogen storage materials
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2017. - Vol. 10, Is. 1. - P.75-82. - ISSN 1997-1397, DOI 10.17516/1997-1397-2017-10-1-75-82; Журн. СФУ. Сер. "Математика и физика"
Примечания : Cited References: 14. - The work was supported by Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement no. 14.613.21.0010, ID RFMEFI61314X0010).
Ключевые слова (''Своб.индексиров.''): magnesium powder--plasma-chemical synthesis--hydrogen storage--порошок магния--плазмохимический синтез--хранение водорода
Аннотация: Nanodispersed powders, consisting of Mg, Mg and Ni, Mg and Pd, were synthesized in a water-cooled chamber in a hydrogen-helium mixture at atmospheric pressure. Plasma generation was carried out in HF arc discharge in an argon flow with one hollow electrode and the other — crucible with molten metal. The resulting powders were investigated by scanning electron microscopy, X-ray fluorescence analysis and X-ray analysis. When adding nickel during the synthesis, magnesium particles with nickel coating were obtained. Synthesis with palladium resulted in producing magnesium particles with dispersed fine palladium inclusions. However, since the saturated steam pressure of palladium is 2–3 orders lower than that of nickel, then obtaining particles coated with palladium is only possible at higher palladium melt temperatures that we could achieve in this laboratory setup variant. As a possible application of the synthesized powders the possibility of their hydrogen storage usage was experimentally evaluated. © Siberian Federal University. All rights reserved.Нанодисперсные порошки, состоящие из Mg, Mg и Ni, Mg и Pd, были синтезированы в охлаждаемой водой камере, в гелии, смешанном с водородом при атмосферном давлении. Генерация плазмы осуществлялась в ВЧ-дуговом разряде в потоке аргона с одним полым электродом и другим — тиглем с расплавленным металлом. Полученные порошки исследовались методами растровой электронной микроскопии, рентгенофлуоресцентного анализа и рентгенофазового анализа. При одновременном распылении магния и никеля образовывались порошки, состоящие из частиц магния, покрытых никелевой оболочкой. При одновременном распылении магния и палладия порошки состояли из смеси частиц магния и частиц палладия. Однако так как давление насыщенных паров палладия на 2–3 порядка ниже, чем давление насыщенных паров никеля, то получение частиц, покрытых оболочкой палладия, возможно только при более высоких температурах расплава палладия, чем мы могли достигнуть в данном варианте нашей лабораторной установки. В качестве возможного применения синтезированных порошков экспериментально была оценена возможность их использования в виде аккумуляторов водорода.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Usenko A., Moskovskikh D., Korotitskiy A., Gorshenkov M., Zakharova E., Fedorov A. S., Parkhomenko Y., Khovaylo V.
Заглавие : Thermoelectric properties and cost optimization of spark plasma sintered n-type Si0.9Ge0.1 - Mg2Si nanocomposites
Место публикации : Scripta Mater. - 2018. - Vol. 146. - P.295-299. - ISSN 13596462 (ISSN), DOI 10.1016/j.scriptamat.2017.12.019
Примечания : Cited References: 28. - This work was supported by Russian Science Foundation (project No. 16-13-00060). Part of the work (structural characterization of the samples) was carried out with financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS”. Partial support by Act 211 Government of the Russian Federation, contract # 02.A03.21.0011, is also acknowledged.
Ключевые слова (''Своб.индексиров.''): cost optimization--lattice thermal conductivity--magnesium silicides--spark plasma--thermo-electric materials--thermoelectric figure of merit--thermoelectric performance--thermoelectric properties
Аннотация: We report on thermoelectric properties of low Ge content n-type Si0.9Ge0.1–Mg2Si nanocomposite. Introduction of the Mg2Si phase into a SiGe matrix resulted in a dramatic drop of the lattice thermal conductivity beyond the previously reported lowest limit for SiGe alloys due to intensification of phonon scattering on SiGe–Mg2Si grain boundaries. For a sample doped with 1 at.% of Mg2Si, the peak value of thermoelectric figure of merit ZT reached ~ 0.8 at 800 °C. Sintered nanocomposites still exhibit high thermoelectric performance while being almost two times cheaper than Si0.8Ge0.2.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Balaev A. D., Bayukov O. A., Savitskii A. F.
Заглавие : Magnetic and mossbauer studies of magnesium-chromium ferrites
Место публикации : Phys. Status Solidi B. - 1989. - Vol. 152, Is. 2. - P.639-644. - ISSN 0370-1972, DOI 10.1002/pssb.2221520226
Примечания : Cited References: 10
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Serzhantova M. V., Kuzubov A. A.
Заглавие : Analysis of hydrogen adsorption in the bulk and on the surface of magnesium nanoparticles
Коллективы :
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 107, Is. 1. - P126-132. - ISSN 1063-7761, DOI 10.1134/S1063776108070121
Примечания : Cited References: 15. - This study was supported financially by the Russian Foundation for Basic Research ( project no. 06-02-16132). The authors are also grateful to the Institute of Computer Modeling of the Siberian Branch of the Russian Academy of Science for providing a cluster computer on which all quantum-chemistry calculations were performed.
Предметные рубрики: MOLECULAR-DYNAMICS
TRANSITION
METALS
Ключевые слова (''Своб.индексиров.''): adsorption--gas adsorption--hydrogen--light metals--magnesium--nonmetals--hydrogen adsorption--magnesium hydrides--magnesium printing plates
Аннотация: The stability of magnesium hydride (MgH (x) ) nanoparticles (x = 0.5,...,2) is investigated using ab initio calculations. It is shown that for a nanoparticle diameter of D similar to 5 nm, the internal pressure becomes lower than 3 kbar; for this reason, the structure of hydride nanoparticles coincides with the structure of this hydride in crystalline form. It is found that the phase of partly saturated MgH (x) hydrides (x 2) must decompose into the phase of pure hcp magnesium and the alpha phase of MgH(2). The frequencies of jumps of hydrogen atoms within the hcp phase of magnesium and in the alpha phase of MgH(2) are calculated; it is shown that slow diffusion of hydrogen in magnesium is due to the large height of potential barriers for motion of hydrogen within MgH(2). To attain high diffusion rates, the structures of Mg(53)Sc and Mg(53)Ti crystals and their hydrides are calculated. It is found that the frequency of jumps of H atoms in Mg(53)ScH(108) near the Sc atoms does not noticeably change as compared to the frequency of jumps in the alpha phase of MgH(2), while the frequency of jumps in Mg(53)TiH(108) near Ti atoms is higher by approximately a factor of 2.5 x 10(6). This means that diffusion in manganese hydride with small admixtures of titanium atoms must be considerably eased. Chemical dissociation of hydrogen molecules on the (0001) surface of hcp magnesium, on the given surface with adjoined individual Ti atoms, and on the surface of a one-layer titanium cluster on the given surface of magnesium is investigated. It is found that dissociation of hydrogen at solitary titanium atoms, as well as on the surface of a Ti cluster, is facilitated to a considerable extent as compared to pure magnesium. This should also sharply increase the hydrogen adsorption rate in magnesium nanoparticles.
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