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

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Baek, Woohyeon, Gromilov, Serey A., Kuklin, Artem, V, Kovaleva, Evgenia A., Fedorov A. S., Sukhikh, Alexander S., Hanfland, Michael, Pomogaev, Vladimir A., Melchakova, Iuliia A., Avramov P. V., Yusenko, Kirill, V
Заглавие : Unique Nanomechanical Properties of Diamond-Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds
Место публикации : Nano Lett. - 2019. - Vol. 19, Is. 3. - P.1570-1576. - ISSN 1530-6984, DOI 10.1021/acs.nanolett.8b04421. - ISSN 1530-6992(eISSN)
Примечания : Cited References: 38. - The authors thank Dr. Valentin Afanasiev (Sobolev Institute of Geology and Mineralogy, Novosibirsk, Russia) for giving us access to a representative set of impact diamonds from Popigai astrobleme. The authors also acknowledge ID-15B beamline at the European Synchrotron Radiation Facility (ESRF) for providing measurement times and technical support. Dr. Valerio Cerantola (ESRF) is thanked for his kind support with the laser-heating setup. W.B., A.V.K., and P.V.A. acknowledge the National Research Foundation of Republic of Korea for support under grant no. NRF-2017R1A2B4001410.
Предметные рубрики: CARBON
PRESSURES
GRAPHITE
HARDNESS
ORIGIN
Аннотация: For the first time, lonsdaleite-rich impact diamonds from one of the largest Popigai impact crater (Northern Siberia) with a high concentration of structural defects are investigated under hydrostatic compression up to 25 GPa. It is found that, depending on the nature of a sample, the bulk modulus for lonsdaleite experimentally obtained by X-ray diffraction in diamond-anvil cells is systematically lower and equal to 93.3–100.5% of the average values of the bulk moduli of a diamond matrix. Density functional theory calculations reveal possible coexistence of a number of diamond/lonsdaleite and twin diamond biphases. Among the different mutual configurations, separate inclusions of one lonsdaleite (001) plane per four diamond (111) demonstrate the lowest energy per carbon atom, suggesting a favorable formation of single-layer lonsdaleite (001) fragments inserted in the diamond matrix. Calculated formation energies and experimental diamond (311) and lonsdaleite (331) powder X-ray diffraction patterns indicate that all biphases could be formed under high-temperature, high-pressure conditions. Following the equation of states, the bulk modulus of the diamond (111)/lonsdaleite (001) biphase is the largest one among all bulk moduli, including pristine diamond and lonsdaleite.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva Y., Palyanov Y., Borzdov Y., Novoselov I., Bayukov O. A.
Заглавие : Graphite and diamond formation in the carbide–oxide–carbonate interactions (Experimental modeling under mantle P,T-conditions)
Место публикации : Minerals. - 2018. - Vol. 8, Is. 11. - Ст.522. - ISSN 2075163X (ISSN), DOI 10.3390/min8110522
Примечания : Cited References: 67. - The authors express their sincere thanks to the in-house Editor, the guest Academic Editor, and three anonymous Reviewers for helpful and constructive reviews. The authors thank S. Ovchinnikov for his assistance in implementation of Mössbauer spectroscopy measurements and A. Moskalev for his assistance in the work preparation.
Ключевые слова (''Своб.индексиров.''): cohenite--graphite--diamond--co2 fluid--carbonate--garnet--experiment--high pressure--lithospheric mantle--metasomatism
Аннотация: Experimental modeling of the formation of graphite and diamond as a result of carbide–fluid interactions was performed in the Fe3C–SiO2–Al2O3–(Mg,Ca)CO3 systems at 6.3 and 7.5 GPa and 1100–1650 °C. In the experiments with ƒO2-gradient (7.5 GPa, 1250–1350 °C), graphite + magnesiowüstite + garnet ± cohenite assemblage was formed. Graphite was produced through the redox interactions of carbide with carbonate or CO2 (reducing conditions), and redox reactions of magnesiowüstite and CO2 (oxidizing conditions). At 1450–1650 °C, crystallization of graphite, garnet, magnesiowüstite and ferrospinel, as well as generation of Fe2+,3+-rich carbonate–silicate melt occurred. This melt, saturated with carbon, acted as a medium of graphite crystallization and diamond growth on seeds. In the experiments without ƒO2-gradient (6.3 GPa), decarbonation reactions with the formation of CO2-fluid and Fe,Mg,Ca-silicates, as well as C0-producing redox reactions of CO2-fluid with cohenite were simultaneously realized. As a result, graphite (± diamond growth) was formed in assemblage with Fe2+,Fe3+,Mg-silicates and magnetite (1100–1200 °C), or with Fe3+-rich garnet and orthopyroxene (1300–1500 °C). It has been established that a potential mechanism for the crystallization of graphite or diamond growth is the oxidation of cohenite by CO2-fluid to FeO and Fe3O4, accompanied by the extraction of carbon from Fe3C and the corresponding reduction of CO2 to C0.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva Y. V., Palyanov Y. N., Borzdov Y. M., Novoselov I. D., Bayukov O. A.
Заглавие : An effect of reduced S-rich fluids on diamond formation under mantle-slab interaction
Место публикации : Lithos. - 2019. - Vol. 336-337. - P.27-39. - ISSN 00244937 (ISSN), DOI 10.1016/j.lithos.2019.03.027
Примечания : Cited References: 73. - This work was supported by the Russian Science Foundation under Grant No. 14-27-00054 and a state assignment of IGM SB RAS. The authors thank S. Ovchinnikov for his assistance in implementation of the Mossbauer spectroscopy measurements.
Аннотация: Experimental study, dedicated to understanding the effect of S-rich reduced fluids on the diamond-forming processes under subduction settings, was performed using a multi-anvil high-pressure split-sphere apparatus in Fe3C-(Mg,Ca)CO3-S and Fe0-(Mg,Ca)CO3-S systems at the pressure of 6.3 GPa, temperatures in the range of 900–1600 °C and run time of 18–60 h. At the temperatures of 900 and 1000 °C in the carbide-carbonate-sulfur system, extraction of carbon from cohenite through the interaction with S-rich reduced fluid, as well as C0-producing redox reactions of carbonate with carbide were realized. As a result, graphite formation in assemblage with magnesiowüstite, cohenite and pyrrhotite (±aragonite) was established. At higher temperatures (≥1100 °C) formation of assemblage of Fe3+-magnesiowüstite and graphite was accompanied by generation of fO2-contrasting melts - metal-sulfide with dissolved carbon (Fe-S-C) and sulfide-oxide (Fe-S-O). In the temperature range of 1400–1600 °C spontaneous diamond nucleation was found to occur via redox interactions of carbide or iron with carbonate. It was established, that interactions of Fe-S-C and Fe-S-O melts as well as of Fe-S-C melt and magnesiowüstite, were С0-forming processes, accompanied by disproportionation of Fe. These resulted in the crystallization of Fe3+-magnesiowüstite+graphite assemblage and growth of diamond. We show that a participation of sulfur in subduction-related elemental carbon-forming processes results in sharp decrease of partial melting temperatures (~300 °C), reducting the reactivity of the Fe-S-C melt relatively to FeC melt with respect to graphite and diamond crystallization and decrease of diamond growth rate.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zaytseva I. V., Pugachev A. M., Okotrub K. A., Surovtsev N. V., Mikerin S. L., Krylov A. S.
Заглавие : Residual mechanical stresses in pressure treated BaTiO3 powder
Коллективы : RFBR [17-32-5009, 18-02-00399, AAAA-A17-117052410033-9]
Место публикации : Ceram. Int. - 2019. - Vol. 45, Is. 9. - P.12455-12460. - ISSN 0272-8842, DOI 10.1016/j.ceramint.2019.03.179. - ISSN 1873-3956(eISSN)
Примечания : Cited References: 33. - The reported study was funded by RFBR according to the research projects No. 17-32-5009, 18-02-00399 and State assignment No AAAA-A17-117052410033-9. The experiments were performed in the multiple-access center "High-Resolution Spectroscopy of Gases and Condensed Matter" in IA&E SBRAS (Novosibirsk, Russia) and Center for Common Use of the Krasnoyarsk Scientific Center, SBRAS (Krasnoyarsk, Russia).
Предметные рубрики: DIELECTRIC-PROPERTIES
PHASE-TRANSITION
DIAMOND ANVILS
RAMAN
Ключевые слова (''Своб.индексиров.''): residual mechanical stress--raman spectroscopy--high non-hydrostatic pressure--temperature treatment--residual pressure--batio3 ceramics
Аннотация: Here we present Raman spectroscopy approach to monitor the spatial distribution and the magnitude of the residual mechanical stresses in ceramic after non-hydrostatic pressure treatments. The residual pressure can be found from the E-phonon line shift (∼307 cm−1) in the Raman spectra. The relationship between the non-hydrostatic pressure (up to 11 GPa) and the shift of this line has been established. It is demonstrated that the change in the Raman line position (1332 cm−1) of the diamond anvil can be used for monitoring of applied non-hydrostatic pressures. A linear dependence of residual mechanical stresses on the applied pressures is found. Micro-Raman spectroscopy shows that the residual mechanical stresses are distributed fairly uniformly in the studied BaTiO3 samples at the micron scale. In the future, the proposed Raman technique can be used for monitoring the quality of produced BaTiO3 ceramics.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryainov S. V., Krylov A. S., Polyansky O. P., Vtyurin A. N.
Заглавие : In-situ Raman study of phengite compressed in water medium under simultaneously high P-T parameters
Коллективы : International GeoRAMAN Conference , Russian Science Foundation [15-17-30012]
Место публикации : J. Raman Spectrosc. - 2017. - Vol. 48, Is. 11. - P.1431-1437. - ISSN 0377-0486, DOI 10.1002/jrs.5112. - ISSN 1097-4555(eISSN)
Примечания : Cited References:57. - This work was supported by the Russian Science Foundation (Grant No. 15-17-30012)
Предметные рубрики: X-RAY-DIFFRACTION
HYDROGEN-BOND DIMERS
POLARIZED IR-SPECTRA
Ключевые слова (''Своб.индексиров.''): raman spectra--phengite--high pressure--high temperature--diamond anvil--cell
Аннотация: The in-situ method of Raman spectroscopy was used to study the layered mineral phengite, K(Al,Mg)2(Si,Al)4O10(OH)2, compressed in water under simultaneously high temperatures and pressures (respectively, up to 373 °С and 12.5 GPa). The implemented conditions were typical of modeling the ‘cold’ subduction zones in lithospheric slabs. The high pressures and temperatures were produced in an electrically heated diamond-anvil cell. Measured Raman spectra have demonstrated a high Р–Т stability of the mineral. No non-quenchable phengite states (no reversible or irreversible polymorphic transitions, overhydration or notable amorphization) were observed in the investigated samples.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivanenko A. A., Tambasov I. A., Pshenichnaia A. A., Shestakov N. P.
Заглавие : Flexible film broadband absorber based on diamond-graphite mixture and polyethylene
Место публикации : Opt. Mater.: Elsevier Science, 2017. - Vol. 73. - P.388-392. - ISSN 09253467 (ISSN), DOI 10.1016/j.optmat.2017.08.041
Примечания : Cited References: 54. - This study was supported by the Russian Foundation for Basic Research (Grants No. 16-32-00302 мол_а), by the Council for Grants of the President of the Russian Federation (SP-317.2015.1), by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project No. 16-42-243059 р_мол_а and No. 16-48-242092 р_офи_м.
Ключевые слова (''Своб.индексиров.''): flexible film broadband absorption--diamond-graphite mixture--polyethylene--reflectivity--transmittance
Аннотация: Flexible film broadband absorber based on diamond-graphite mixture and polyethylene was fabricated by hot pressing. The film thickness of the absorber was 90 μm. We have measured angular reflectivity, diffusional reflectivity and transmittance in the range 85–8000 cm−1 (117–1.25 μm) in order to determine the absorption. It was shown that room temperature pressing of mesh print with 250 μm step significantly reduces reflectivity of the absorber. The absorption was over 0.85 in the range 85–320 cm−1 (117–31.25 μm) and 0.98 in the range 320–8000 cm−1 (31.25–1.25 μm). We believe that the designed and manufactured absorber might become a promising material for optical devices where high broadband absorption and flexibility are required.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva, Yu. V., Palyanov, Yu. N., Borzdov, Yu. M., Novoselov I. D., Bayukov O. A., Sobolev N. V.
Заглавие : Conditions of formation of iron-carbon melt inclusions in garnet and orthopyroxene under P-T conditions of lithospheric mantle
Коллективы : Russian Foundation for Basic Research [16-35-60024]; [0330-2016-0007]
Место публикации : Petrology. - 2018. - Vol. 26, Is. 6. - P.565-574. - ISSN 0869-5911, DOI 10.1134/S0869591118060024. - ISSN 1556-2085(eISSN)
Примечания : Cited References: 45. - This work was supported by the Russian Foundation for Basic Research (project no. 16-35-60024) and a State Assignment (project no. 0330-2016-0007).
Предметные рубрики: EARTHS LOWER MANTLE
DIAMOND FORMATION
DEEP MANTLE
PHYSICOCHEMICAL PARAMETERS
Ключевые слова (''Своб.индексиров.''): high-pressure experiment--metal-carbon melt--graphite--diamond--co2-fluid--mantle silicates--mantle metasomatism
Аннотация: Of great importance in the problem of redox evolution of mantle rocks is the reconstruction of scenarios of alteration of Fe0- or Fe3C-bearing rocks by oxidizing mantle metasomatic agents and the evaluation of stability of these phases under the influence of fluids and melts of different compositions. Original results of high-temperature high-pressure experiments (P = 6.3 GPa, T = 1300–1500°С) in the carbide–oxide–carbonate systems (Fe3C–SiO2–(Mg,Ca)CO3 and Fe3C–SiO2–Al2O3–(Mg,Ca)CO3) are reported. Conditions of formation of mantle silicates with metallic or metal–carbon melt inclusions are determined and their stability in the presence of CO2-fluid representing the potential mantle oxidizing metasomatic agent are estimated. It is established that garnet or orthopyroxene and CO2-fluid are formed in the carbide–oxide–carbonate system through decarbonation, with subsequent redox interaction between CO2 and iron carbide. This results in the formation of assemblage of Fe-rich silicates and graphite. Garnet and orthopyroxene contain inclusions of a Fe–C melt, as well as graphite, fayalite, and ferrosilite. It is experimentally demonstrated that the presence of CO2-fluid in interstices does not affect on the preservation of metallic inclusions, as well as graphite inclusions in silicates. Selective capture of Fe–C melt inclusions by mantle silicates is one of the potential scenarios for the conservation of metallic iron in mantle domains altered by mantle oxidizing metasomatic agents.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lundin A. A., Zobov V. E.
Заглавие : Asymptotic similarity of time correlation functions and shape of the 13C and 29Si NMR spectra in diamond and silicon
Коллективы : Institute of Chemical Physics of the Russian Academy of Science [0082-2018-0005, TSITIS AAAA-A18-118020690203]
Место публикации : J. Exp. Theor. Phys. - 2018. - Vol. 127, Is. 2. - P.305-315. - ISSN 1063-7761, DOI 10.1134/S1063776118080216. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 47. - We thank V.A. Atsarkin, V.V. Demidov, F.S. Dzheparov, and E. B. Feldman for the discussion of our results. This work was supported by a subsidy allocated by the Institute of Chemical Physics of the Russian Academy of Science for the State assignment, theme 0082-2018-0005, code TSITIS AAAA-A18-118020690203.
Предметные рубрики: SPIN SYSTEMS
LINE-SHAPES
RELAXATION
SOLIDS
PARAMAGNETS
RESONANCE
Аннотация: Based on the proposed theory, we have investigated the shape of the NMR absorption spectra for 13C and 29Si nuclei in diamond and silicon crystals attributable to the internuclear dipole–dipole interaction. In accordance with the available experimental data, we have considered both crystals with a 100% content of magnetoactive isotopes and crystals with a comparatively low dilution by nonmagnetic nuclei. The time correlation functions (the first of which is the Fourier transform of the NMR spectrum) arising in an infinite chain of coupled differential equations are shown to be mutually similar with a slight time delay. The proposed theory allows the spectrum to be calculated analytically. The results obtained agree satisfactorily with the experimental ones. It is noted that the mutual similarity of the time correlation functions is probably a corollary of the development of dynamical chaos in the system.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva Y., Palyanov Y., Borzdov Y., Bayukov O. A.
Заглавие : Processes and conditions of the origin for Fe3+-bearing magnesiowustite under lithospheric mantle pressures and temperatures
Место публикации : Minerals. - 2019. - Vol. 9, Is. 8. - Ст.474. - ISSN 2075163X (ISSN), DOI 10.3390/min9080474
Примечания : Cited References: 82. - This research was performed by state assignment of IGM SB RAS (project No. 0330-2016-0007).
Предметные рубрики: Mineral Geochemistry and Geochronology
Аннотация: An experimental study, implicated in the revealing of the conditions for the origin for Fe3+-bearing magnesiowüstite in the lithospheric mantle, was performed using Mössbauer spectroscopy of pre-synthesized samples. Experiments were carried out using a multi-anvil high-pressure split-sphere apparatus at 6.3–7.5 GPa, in the range of 1100–1650 °C in carbonate-metal, carbonate–oxide-metal, carbonate-oxide, carbide-oxide and carbonate–metal-sulphur systems. In three experimental series, oxygen fugacity gradient in the samples was created, which enabled the study of the processes of magnesiowüstite formation under oxidizing and reducing conditions (ΔlogfO2 (FMQ) values from −1 to −5). It was established that Fe3+-bearing magnesiowüstite can form both in assemblage with oxidized phases, such as carbonate or with reduced ones—metal, carbides, sulphides, graphite and diamond. According to the Mössbauer spectroscopy, the composition of synthesized magnesiowüstite varied within a range of Fe3+/ΣFe values from 0 to 0.3, with IV and VI coordination of Fe3+ depending on P, T, fO2, x-parameters. It was established that Fe3+-bearing magnesiowüstite formation processes under upper mantle P,T-conditions include redox reactions, with magnesiowüstite being (1) reductant or (2) product of interaction, (3) crystallization processes of magnesiowüstite from an oxidized melt, where magnesiowüstite acts as a sink for ferric iron and (4) iron disproportionation.
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Denisov I.A., Belobrov P. I., Tsegelnik S.S., Shaikhutdinov K. A., Znak D.A., Balaev D. A., Bayukov O. A., Korchagina S.B., Petrakovskaya E. A., Velikanov D. A., Volkov N. V., Gordeev S.K.
Заглавие : Magnetization of diamond-graphene flakes composites
Коллективы : Trends in NanoTechnology
Место публикации : Trends in NanoTechnology (TNT 2009). - 2009
Примечания : This research was supported by RFBR Grants 07-04-01340-а and 08-02-00259-a, ME&S of RF Grant No. 2.2.2.2/5309 and U.S. CRDF Grant RUX0-002-KR-06/BP4M02.
Материалы конференции,
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu D., Li G., Dang P., Zhang Q., Wei Y., Qiu L., Molokeev M. S., Lian H., Shang M., Lin J.
Заглавие : Highly efficient Fe3+-doped A2 BB′O6 (A = Sr2+, Ca2+; B, B′ = In3+, Sb5+, Sn4+) broadband near-infrared-emitting phosphors for spectroscopic analysis
Место публикации : Light Sci. Appl. - 2022. - Vol. 11, Is. 1. - Ст.112. - ISSN 20955545 (ISSN), DOI 10.1038/s41377-022-00803-x
Примечания : Cited References: 50. - This work was financially supported by the National Natural Science Foundation of China (NSFC Nos. 51720105015, 51932009, 51929201, 52072349), the Projects for Science and Technology Development Plan of Jilin Province (20210402046GH), and the Natural Science Foundation of Zhejiang Province (LR22E020004)
Предметные рубрики: Optical properties of diamond
Inorganic LEDs
Аннотация: Near-infrared (NIR)-emitting phosphor-converted light-emitting diodes have attracted widespread attention in various applications based on NIR spectroscopy. Except for typical Cr3+-activated NIR-emitting phosphors, next-generation Cr3+-free NIR-emitting phosphors with high efficiency and tunable optical properties are highly desired to enrich the types of NIR luminescent materials for different application fields. Here, we report the Fe3+-activated Sr2−yCay(InSb)1−zSn2zO6 phosphors that exhibit unprecedented long-wavelength NIR emission. The overall emission tuning from 885 to 1005 nm with broadened full-width at half maximum from 108 to 146 nm was realized through a crystallographic site engineering strategy. The NIR emission was significantly enhanced after complete Ca2+ incorporation owing to the substitution-induced lower symmetry of the Fe3+ sites. The Ca2InSbO6:Fe3+ phosphor peaking at 935 nm showed an ultra-high internal quantum efficiency of 87%. The as-synthesized emission-tunable phosphors demonstrated great potential for NIR spectroscopy detection. This work initiates the development of efficient Fe3+-activated broadband NIR-emitting phosphors and opens up a new avenue for designing NIR-emitting phosphor materials.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nikolaev N. S., Isakova V. G., Vnukova N. G., Elesina V. I., Glushenko G. A., Tomashevich Y. V., Churilov G. N.
Заглавие : Synthesis of Ni nanoclusters supported on diamond by plasma technique and their electrochemical properties
Колич.характеристики :6 с
Место публикации : Diam. Relat. Mater. - 2024. - Vol. 142. - Ст.110844. - ISSN 09259635 (ISSN), DOI 10.1016/j.diamond.2024.110844. - ISSN 18790062 (eISSN)
Примечания : Cited References: 35
Аннотация: In this study, particles of synthetic undoped diamond (DN) obtained via the high pressure – high temperature method were coated with a nickel shell using metallic nickel plasma in a two-jet plasma generator with gas vortex and magnetic flux stabilization. Through the use of scanning electron microscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy, we observed the formation of a nickel diamond composite with a core-shell structure, where DN serves as the core and Ni nanoclusters form the shell (DN@Ni). The results of voltammetric analysis indicated that DN@Ni, when deposited on a graphite electrode, exhibited significant electrocatalytic activity in the oxidation of methanol and paracetamol in an alkaline electrolyte.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhukov V. V., Erohin S. V., Churkin V. D., Vnukova N. G., Antipina L. Y., Elesina V. I., Visotin M. A., Tomashevich Y. V., Popov M. Y., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Feature of the endohedral metallofullerene Y@C82 and Gd@C82 polymerization under high pressure
Место публикации : J. Phys. Chem. C. - 2022. - Vol. 126, Is. 40. - P.17366-17373. - ISSN 19327447 (ISSN), DOI 10.1021/acs.jpcc.2c05139
Примечания : Cited References: 35. - The authors gratefully acknowledge the financial support of the RFBR (project identifier: 18-29-19080). V.D.C. acknowledges the support of the RFBR (project identifier: 20-32-90038). M.Y.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results and Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.V.Z., S.V.E., and P.B.S. acknowledge the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the strategic academic leadership program “Priority 2030” (no. K6-2022-041). The calculations were performed at the supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and the Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in performing calculations
Аннотация: In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C82) and yttrium atoms (Y@C82) at high pressures achieved using the shear diamond anvil cell technique is studied using both theoretical and experimental approaches. It is found that in contrast to pure fullerenes, EMF polymerization starts at lower pressures with similar behavior for both metals inside the fullerene cage. EMF polymerization occurs smoothly and finally leads to a significant increase in the number of interfullerene bonds at pressures higher than ∼20 GPa. Finally, a high bulk modulus of both EMF-polymerized materials is obtained using Raman spectra.
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14.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Korets A.Ya., Krylov A. S., Mironov E. V.
Заглавие : Structural Inhomogeneity of Detonation Diamond Containing Materials
Коллективы : International Conference on Equations of State for Matter, Physics of Ex treme States of Matter
Место публикации : Physics of extreme states of matter - 2010/ International Conference on Equations of State for Matter, Physics of Ex treme States of Matter (25 ; 2010 ; MAR ; 1-6 ; Elbrus, Russia). - 2010. - С. 33-34. - ISBN 978-5-901675-96-0
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernozatonskii L.A., Sorokin P.B., Kuzubov A.A., Kvashnin A.G., Kvashnin D.G., Avramov P.V., Yakobson B.I., Sorokin B.P.
Заглавие : Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness
Место публикации : J. Phys. Chem. C. - 2011. - Vol. 115, Is. 1. - P.132-136. - JAN 13. - ISSN 1932-7447, DOI 10.1021/jp1080687
Примечания : Cited Reference Count: 37. - Гранты: L.A.C. was supported by the Russian Academy of Sciences, program No. 21 and by the Russian Foundation for Basic Research (project no. 08-02-01096). P.B.S. and B.I.Y. acknowledge support by the Office of Naval Research (MURI project). P.V.A. and 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 Chem-Craft software.Финансирующая организация: Russian Academy of Sciences [21]; Russian Foundation for Basic Research [08-02-01096]; Office of Naval Research (MURI); RFBR-JSPS [09-02-92107-RPhi]
Предметные рубрики: REVERSIBLE HYDROGENATION
GRAPHENE
GRAPHANE
Atomic structure
Band gaps
Diamond nanocrystals
Elastic properties
Electronic band structure calculation
Energy stability
Experimental data
Hydrogen atoms
Nanometer thickness
Size effects
Theoretical result
Diamond films
Elasticity
Carbon films
Ключевые слова (''Своб.индексиров.''): atomic structure--band gaps--diamond nanocrystals--elastic properties--electronic band structure calculation--energy stability--experimental data--hydrogen atoms--nanometer thickness--size effects--theoretical result--diamond films--elasticity--carbon films
Аннотация: The atomic structure and physical properties of few-layered 111 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 111 layers. All theoretical results were compared with available experimental data.The atomic structure and physical properties of few-layered 〈111〉 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 〈111〉 layers. All theoretical results were compared with available experimental data. © 2010 American Chemical Society.
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16.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Korets A.Ya., Krylov A.S., Mironov E.V.
Заглавие : Structural heterogeneity detonation diamond containing mate rial
Коллективы : International Shock Interaction Symposium
Место публикации : 19th International Shock Interaction Symposium/ International Shock Interaction Symposium (19 ; 2010 ; Moscow, Russia). - 2010. - С. 19
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Korets A.Ya., Krylov A.S., Mironov E.V.
Заглавие : Structural heterogeneity detonation diamond-containing mate rial
Коллективы : Chaotic modeling and Simulation International Conference
Место публикации : 3rd Chaotic modeling and Simulation International Conference: CHAOS 2010. - 2010. - С. 34
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva Yu. V., Palyanov Y. N., Borzdov Y. M., Bayukov O. A., Zdrokov E. V.
Заглавие : Iron carbide as a source of carbon for graphite and diamond formation under lithospheric mantle P-T parameters
Место публикации : Lithos: Elsevier, 2017. - Vol. 286-287. - P.151-161. - ISSN 00244937 (ISSN), DOI 10.1016/j.lithos.2017.06.010
Примечания : Cited References: 57. - This work was supported by the Russian Foundation for Basic Research (project No. 16-35-60024) and by a State Assignment (project no. 0330-2016-0007). The authors thank the editor Marco Scambelluri, the reviewer Fabrizio Nestola and an anonymous reviewer for their helpful and constructive reviews. The authors thank A. Moskalev and M. Jolivet for their assistance in the work preparation, A. Sokol and A. Khokhryakov for useful suggestions throughout the study, S. Ovchinnikov for his assistance in implementation of the Mössbauer spectroscopy measurements.
Ключевые слова (''Своб.индексиров.''): iron carbide--graphite--diamond--sulfur-rich fluid--mantle sulfides--high-pressure experiment
Аннотация: Experimental modeling of natural carbide-involving reactions, implicated in the graphite and diamond formation and estimation of the iron carbide stability in the presence of S-bearing fluids, sulfide melts as well as mantle silicates and oxides, was performed using a multi-anvil high-pressure split-sphere apparatus. Experiments were carried out in the carbide-sulfur (Fe3C-S), carbide-sulfur-oxide (Fe3C-S-SiO2-MgO) and carbide-sulfide (Fe3C-FeS2) systems, at pressure of 6.3 GPa, temperatures in the range of 900–1600 °C and run time of 18–40 h. During the interaction of cohenite with S-rich reduced fluid or pyrite at 900–1100 °C, extraction of carbon from carbide was realized, resulting in the formation of graphite in assemblage with pyrrhotite and cohenite. At higher temperatures complete reaction of cohenite with newly-formed sulfide melt was found to produce metal-sulfide melt with dissolved carbon (Fe64S27C9 (1200 °C)–Fe54S40C6 (1500 °C), at.%), which acted as a crystallization medium for graphite (1200–1600 °C) and diamond growth on seeds (1300–1600 °C). Reactions of cohenite and oxides with S-rich reduced fluid resulted in the formation of graphite in assemblage with highly ferrous orthopyroxene and pyrrhotite (900–1100 °C) or in hypersthene formation, as well as graphite crystallization and diamond growth on seeds in the Fe-S-C melt (1200–1600 °C). We show that the main processes of carbide interaction with S-rich fluid or sulfide melt are recrystallization of cohenite (900–1100 °C), extraction of carbon and iron in the sulfide melt, and graphite formation and diamond growth in the metal-sulfide melt with dissolved carbon. Our results evidence that iron carbide can act as carbon source in the processes of natural graphite and diamond formation under reduced mantle conditions. We experimentally demonstrate that cohenite in natural environments can be partially consumed in the reactions with mantle silicates and oxides, and is absolutely unstable in the presence of S-bearing reduced fluid or sulfide melt at temperatures higher than 1100 °C, under lithospheric mantle pressures.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bataleva, Yu. V., Palyanov, Yu. N., Borzdov, Yu. M., Bayukov O. A., Sobolev N. V.
Заглавие : Interaction of iron carbide and sulfur under P–T conditions of the lithospheric mantle
Коллективы : Russian Foundation for Basic Research [14-05-31061], Council for Grants and Support of the Leading Scientific Schools of the President of the Russian Federation [NSh 2024.2014.5]
Место публикации : Dokl. Earth Sci.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 463, Is. 1. - P.707-711. - ISSN 1028-334X, DOI 10.1134/S1028334X15070077
Примечания : This study was supported by the Russian Foundation for Basic Research (project no. 14-05-31061) and by the Council for Grants and Support of the Leading Scientific Schools of the President of the Russian Federation (NSh 2024.2014.5).
Предметные рубрики: MINERAL INCLUSIONS
DIAMOND
CARBON
EVOLUTION
CORES
Аннотация: Experimental studies were performed in the Fe3C–S system at P = 6.3 GPa, T = 900–1600°C, and t = 18–20 h. The study aimed to characterize the conditions of iron carbide stability in a reduced lithospheric mantle and to reveal the possibility of the formation of elemental carbon by the interaction of iron carbide and sulfur. It was found that the reaction at T 1200°C proceeds with the formation of a pyrrhotite–graphite assemblage by the following scheme: 2Fe3C + 3S2 → 6FeS + 2C0. The crystallization of graphite at T 1200°C is accompanied by the generation of sulfide and metal–sulfide melts and via 2Fe3C + 3S2 → 6[Fe–S(melt) + Fe–S–C(melt)] + 2C(graphite)0 reaction. Resulting from the carbon-generating reactions, not only graphite crystallized in sulfide or metal–sulfide melts, but the growth of diamond also takes place. The obtained data allow one to consider cohenite as a potential source of carbon in the processes of diamond and graphite crystallization under the conditions of a reduced lithospheric mantle. The interaction of iron carbide and sulfur under which carbon extraction proceeds may be one of possible processes of the global carbon cycle. © 2015, Pleiades Publishing, Ltd
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryainov S. V., Krylov A. S., Vtyurin A. N., Pan Y.
Заглавие : Raman study of datolite CaBSiO4(OH) at simultaneously high pressure and high temperature
Коллективы : Russian Foundation for Basic Research [N 14-05-00616, 13-05-00185], Ministry of Education and Science of the Russian Federation
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2015. - Vol. 46, Is. 1. - P.177-181. - ISSN 0377, DOI 10.1002/jrs.4614. - ISSN 10974555(eISSN)
Примечания : Cited References:30. - This work was partly supported by the Russian Foundation for BasicResearch (grants N 14-05-00616 and 13-05-00185) and the Ministry ofEducation and Science of the Russian Federation.
Предметные рубрики: X-RAY-DIFFRACTION
CRYSTAL-STRUCTURE
HYDROGEN-BOND
SPECTROSCOPY
Ключевые слова (''Своб.индексиров.''): raman spectra--datolite--high pressure--high temperature--diamond anvil--cell
Аннотация: Using an in situ method of Raman spectroscopy and resistance-heated diamond anvil cell, the system datolite CaBSiO4(OH) – water has been investigated at simultaneously high pressure and temperature (up to Р ~5 GPa and Т ~250 °С). Two polymorphic transitions have been observed: (1) pressure-induced phase transition or the feature in pressure dependence of Raman band wavenumbers at P = 2 GPа and constant T = 22 °С and (2) heating-induced phase transition at T ~90 °С and P ~5 GPа. The number of Raman bands is retained at the first transition but changed at the second transition. The first transition is mainly distinguished by the changes in the slopes of pressure dependence of Raman peaks at 2 GPa. The second transition is characterized by several strong changes: the wavenumber jumps of major bands, the merging of strong doublets at 378 and 391 cm−1 (values for ambient conditions), the splitting of the intermediate-intensity band at 292 cm−1, and the transformation of some low-wavenumber bands at 160–190 cm−1. No spectral and visual signs of overhydration and amorphization have been observed. No noticeable dissolution of datolite in the water medium occurred at 5 GPa and 250 °С after 3 h, which corresponds to typical conditions of the ‘cold’ zones of slab subduction. Copyright © 2014 John Wiley & Sons, Ltd.
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