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Ab initio LC-DFT study of graphene, multilayer graphenes and graphite / P. V. Avramov [et al.] // Chem. Phys. Lett. - 2011. - Vol. 508, Is. 1-3. - P. 86-89, DOI 10.1016/j.cplett.2011.04.016. - Cited References: 32. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. . - ISSN 0009-2614

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
DENSITY
   NANORIBBONS
   PERFORMANCE
   FUNCTIONALS
   FULLERENE
   COBALT
   FILMS
Аннотация: Atomic structure of graphene, bi-, tri-, tetralayer graphenes and graphite as well was studied using ab initio HSE, LDA and PBE DFT approaches in periodic boundary conditions. Based on comparison of theoretical results with experimental data the performance of the methods was estimated. It was found that long-range corrected HSE potential is the most reliable DFT approximation to reproduce the atomic structure of weakly bound multilayer graphenes and graphite as well. (C) 2011 Elsevier B. V. All rights reserved.

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Entani, Shiro
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Naka, Ibaraki 3191195, Japan
[Avramov, Pavel V.] LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
[Avramov, Pavel V.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Sakai, S.; Entani, S.; Matsumoto, Y.; Naramoto, Hiroshi
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Chernozatonskii, L. A.
Two-dimensional semiconducting nanostructures based on single graphene sheets with lines of adsorbed hydrogen atoms / L. A. Chernozatonskii, P. B. Sorokin, J. W. Bruning // Appl. Phys. Lett. - 2007. - Vol. 91, Is. 18. - Ст. 183103, DOI 10.1063/1.2800889. - Cited References: 24 . - ISSN 0003-6951

РУБ Physics, Applied
Рубрики:
CARBON
GAS
Кл.слова (ненормированные):
Electronic properties -- Energy gap -- Graphite -- Hydrogen -- Semiconductor materials -- Superlattices -- Electronic spectra -- Graphene sheets -- Quasi-two-dimensional heterostructures -- Semiconducting nanostructures -- Nanostructured materials
Аннотация: It is shown that lines of adsorbed hydrogen pair atoms divide the graphene sheet into strips and form hydrogen-based superlattice structures (2HG-SL). We show that the formation of 2HG-SL changes the electronic properties of graphene from semimetal to semiconductor. The electronic spectra of "zigzag" (n,0) 2HG-SL is similar to that of (n,0) carbon nanotubes and have a similar oscillation of band gap with n, but with nonzero minimal values. The composite dual-periodic (n,0)+(m,0) 2HG-SLs of zigzag strips are analyzed, with the conclusion that they may be treated as quasi-two-dimensional heterostructures. (C) 2007 American Institute of Physics.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Humboldt Univ, Math Inst, D-12489 Berlin, Germany
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, 4 Kosigina St., Moscow 119334, Russian Federation
Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics, Russian Academy of Sciences, Academgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Mathematics, Humboldt University of Berlin, Berlin 12489, Germany

Доп.точки доступа:
Sorokin, P. B.; Bruning, J. W.
}
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Conditions for diamond and graphite formation from iron carbide at the P-T parameters of lithospheric mantle / Y. V. Bataleva [et al.] // Russ. Geol. Geophys. - 2016. - Vol. 57, Is. 1 : Tectonics, geodynamics, and petrology of earth’s lithosphere and mantle (to the 80th birthday of Academician Nikolai Leontievich Dobretsov). - P. 176-189, DOI 10.1016/j.rgg.2016.01.012. - Cited References:55. - This work was supported by the Russian Science Foundation under Grant No. 14-27-00054. . - ISSN 1068-7971. - ISSN 1878-030X

РУБ Geosciences, Multidisciplinary
Рубрики:
DEEP CARBON-CYCLE
   EARTHS MANTLE
   MINERAL INCLUSIONS
   HIGH-PRESSURE
   KOKCHETAV MASSI
   SUBDUCTION ZONES
   REDOX BUDGET
   FERRIC IRON
   MOSSBAUER
   METAL
Кл.слова (ненормированные):
iron carbide -- wusite -- graphite -- diamond -- oxides -- olivine -- subduction -- redox interaction -- lithospheric mantle -- high-pressure experiment
Аннотация: To estimate conditions for the stability of iron carbide under oxidation conditions and to assess the possibility of formation of elemental carbon by interaction between iron carbide and oxides, experimental modeling of redox interaction in the systems Fe3C-Fe2O3 and Fe3C-Fe2O3-MgO-SiO2 was carried out on a split-sphere high-pressure multianvil apparatus at 6.3 GPa and 900-1600 degrees C for 18-20 h. During carbide-oxide interaction in the system Fe3C-Fe2O3, graphite crystallizes in assemblage with Fe3+-containing wusite. Graphite forms from carbide carbon mainly by cohenite oxidation: Fe3C + 3Fe(2)O(3) -> 9FeO + C-0 and FeO + Fe3C -> (Fe2+, Fe3+)O + C-0. At above-solidus temperatures (>= 1400 degrees C), when metal-carbon melt is oxidized by wusite, graphite and diamond crystallize by the redox mechanism and form the Fe3+-containing wstite + graphite/diamond assemblage. Interaction in the system Fe3C-Fe2O3-MgO-SiO2 results in the formation of Fe3+-containing mannesiowusite-olivine-graphite assemblage. At >= 1500 degrees C, two melts with contrasting f(O2) values are generated: metal-carbon and silicate-oxide; their redox interaction leads to graphite crystallization and diamond growth. Under oxidation conditions, iron carbide is unstable in the presence of iron, silicon, and magnesium oxides, even at low temperatures. Iron carbide-oxide interaction at the mantle temperatures and pressures leads to the formation of elemental carbon; graphite is produced from carbide carbon mainly by redox reactions of cohenite (or metal-carbon melt) with Fe2O3 and FeO as well as by interaction between metal-carbon and silicate-oxide melts. The results obtained suggest that cohenite can be a potential source of carbon during graphite (diamond) formation in the lithospheric mantle and the interaction of iron carbide with iron, silicon, and magnesium oxides, during which carbon is extracted can be regarded as a process of the global carbon cycle. (C) 2016, V.S. Sobolev IGM, Siberian Branch of the RAS. Published by Elsevier B.V. All rights reserved.

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Публикация на русском языке Условия образования графита и алмаза из карбида железа при Р, Т-параметрах литосферной мантии [Текст] / Ю. В. Баталева [и др.] // Геол. и геофиз. - 2016. - Т. 57 № 1. - С. 225-240

Держатели документа:
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Pr Akad Koptyuga 3, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Ul Pirogova 2, Novosibirsk 630090, Russia.
Russian Acad Sci, Siberian Branch, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Borzdov, Yu. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Sobolev, N. V.; Russian Science Foundation [14-27-00054]
}
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Conditions of formation of iron-carbon melt inclusions in garnet and orthopyroxene under P-T conditions of lithospheric mantle / Y. V. Bataleva [et al.] // Petrology. - 2018. - Vol. 26, Is. 6. - P. 565-574, DOI 10.1134/S0869591118060024. - 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). . - ISSN 0869-5911. - ISSN 1556-2085

РУБ Geosciences, Multidisciplinary + Mineralogy
Рубрики:
EARTHS LOWER MANTLE
   DIAMOND FORMATION
   DEEP MANTLE
   PHYSICOCHEMICAL PARAMETERS
Кл.слова (ненормированные):
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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Публикация на русском языке Условия образования включений железо-углеродного расплава в гранатах и ортопироксенах при P-T параметрах литосферной мантии [Текст] / Ю. В. Баталева [и др.] // Петрология. - 2018. - Т. 26 № 6. - С. 571-582

Держатели документа:
Russian Acad Sci, Sobolev Inst Geol & Mineral, Siberian Branch, Novosibirsk, Russia.
Novosibirsk State Univ, Novosibirsk, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Borzdov, Yu. M.; Novoselov, I. D.; Bayukov, O. A.; Баюков, Олег Артемьевич; Sobolev, N. V.; Russian Foundation for Basic Research [16-35-60024]; [0330-2016-0007]
}
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Contact-induced spin polarization in graphene/h-BN/Ni nanocomposites / P. V. Avramov [et al.] // J. Appl. Phys. - 2012. - Vol. 112, Is. 11. - Ст. 114303. - P. , DOI 10.1063/1.4767134. - Cited References: 47. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. The authors are grateful to the ICS SB RAS and SFU CC (Krasnoyarsk), ISC RAS and MSU CRC, (SKIF MSU "Chebyshev", Moscow) for computer resources. This work was partially supported by the RFBR grant 12-02-31417. . - ISSN 0021-8979

РУБ Physics, Applied + Boron nitride + Electronic structure + Nanocomposites + Plates (structural components) + Spin polarization + Graphene
Рубрики:
HEXAGONAL BORON-NITRIDE
   TRILAYER GRAPHENE
   NI(111) SURFACE
   GRAPHITE
   APPROXIMATION
   SPINTRONICS
   DIFFRACTION
   SIMULATION
   SUBSTRATE
   CARBON
Аннотация: Atomic and electronic structure of graphene/Ni(111), h-BN/Ni(111) and graphene/h-BN/Ni(111) nanocomposites with different numbers of graphene and h-BN layers and in different mutual arrangements of graphene/Ni and h-BN/Ni at the interfaces was studied using LDA/PBC/PW technique. Using the same technique corresponding graphene, h-BN and graphene/h-BN structures without the Ni plate were calculated for the sake of comparison. It was suggested that C-top:C-fcc and N-top:B-fcc configurations are energetically favorable for the graphene/Ni and h-BN/Ni interfaces, respectively. The Ni plate was found to induce a significant degree of spin polarization in graphene and h-BN through exchange interactions of the electronic states located on different fragments. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4767134]

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Ohtomo, Manabu
Entani, Shiro
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.
Kuzubov, A. A.
Eleseeva, Natalia S.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Sakai, Seiji; Ohtomo, Manabu; Entani, Shiro; Matsumoto, Yoshihiro; Naramoto, Hiroshi; Eleseeva, N. S.; Елисеева, Наталья Сергеевна
}
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Dynamic and electrooptic parameters of monolayers in ethane adsorbed on graphite / V. G. Podoprigora [et al.] // Phys. Status Solidi B. - 1989. - Vol. 155, Is. 1. - P. 117-125, DOI 10.1002/pssb.2221550110. - Cited References: 17 . - ISSN 0370-1972

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
Podoprigora, V. G.; Подопригора, Владимир Георгиевич; Remizov, I. A.; Ремизов, Игорь Анатольевич; Shabanov, V. F.; Шабанов, Василий Филиппович; Shmeleva, L. V.; Шмелева Л. В.
}
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Fedorov, A. S.
Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P. 1546-1551, DOI 10.1002/pssb.200844155. - Cited References: 31 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   MOLECULAR-DYNAMICS
   ROOM-TEMPERATURE
   STORAGE
   ENERGY
   THERMODYNAMICS
   GRAPHITE
   DENSITY
   POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
[Fedorov, Alexander S.
Sorokin, Pavel B.
Kuzubov, Alexander A.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Fedorov, Alexander S.] Moscow Railroad Transport Engn Inst, Krasnoyarsk 660028, Russia
[Sorokin, Pavel B.
Kuzubov, Alexander A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Railroad Transport Institute, 660028 Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodniy av, 660041 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
}
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Flexible film broadband absorber based on diamond-graphite mixture and polyethylene / A. A. Ivanenko [et al.] // Opt. Mater. - 2017. - Vol. 73. - P. 388-392, DOI 10.1016/j.optmat.2017.08.041. - 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. . - ISSN 0925-3467
Кл.слова (ненормированные):
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch of Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Ivanenko, A. A.; Иваненко, Александр Анатольевич; Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Pshenichnaia, A. A.; Пшеничная, Анастасия Александровна; Shestakov, N. P.; Шестаков, Николай Петрович
}
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    Graphite and diamond formation in the carbide–oxide–carbonate interactions (Experimental modeling under mantle P,T-conditions) / Y. Bataleva [et al.] // Minerals. - 2018. - Vol. 8, Is. 11. - Ст. 522, DOI 10.3390/min8110522. - 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. . - ISSN 2075-163X
   Перевод заглавия: Образование графита и алмаза при взаимодействиях карбид-оксид-карбонат (экспериментальное моделирование в Р,Т-условиях мантии)
Кл.слова (ненормированные):
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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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Koptyug ave 3, Novosibirsk, 630090, Russian Federation
Department of Geology and Geophysics, Novosibirsk State University, Pirogova str 2, Novosibirsk, 630090, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Akademgorodok 50, bld. 38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Bataleva, Y.; Palyanov, Y.; Borzdov, Y.; Novoselov, I.; Bayukov, O. A.; Баюков, Олег Артемьевич
}
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10.

High-capacity electrode material BC3 for lithium batteries proposed by ab initio simulations / A. A. Kuzubov [et al.] // Phys. Rev. B. - 2012. - Vol. 85, Is. 19. - Ст. 195415, DOI 10.1103/PhysRevB.85.195415. - Cited References: 22. - We thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Russia), the Joint Supercomputer Center of the Russian Academy of Sciences, the supercomputer center of the Institute of Space and Information Technologies of the Siberian Federal University, and the supercomputer center of the Moscow State University (SKIF-MGU) for providing an opportunity to use their computers for performing all calculations. The work was supported by Russian Foundation for Basic Research Grant No. 12-02-00640-a and federal program Grant No. 1.3.2, "Scientific and pedagogical specialists in innovation Russia 2009-2013." . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION
   GRAPHITE
   POINTS
   CARBON
Аннотация: The absorption energy and diffusion rates of lithium atoms inside graphitelike boron carbide (BC3) crystal are investigated by the ab initio pseudopotential density-functionalmethod using generalized gradient approximation. It is shown that lithium may effectively intercalate this structure with the maximum lithium concentration corresponding to Li2BC3 stoichiometry, which is threefold in comparison to lithium in graphite. The potential barrier values for lithium diffusion both at low and maximum concentration are about 0.19 eV, so lithium atoms inside the BC3 structure can move easily. These findings suggest that boron carbide looks like a good candidate as an anode material in lithium ion batteries.

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Держатели документа:
[Kuzubov, Alexander A.
Eliseeva, Natalya S.
Tomilin, Felix N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Fedorov, Aleksandr S.
Eliseeva, Natalya S.
Tomilin, Felix N.
Avramov, Pavel V.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Avramov, Pavel V.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Tomilin, F. N.; Томилин, Феликс Николаевич; Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.
}
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11.

    Iron carbide as a source of carbon for graphite and diamond formation under lithospheric mantle P-T parameters / Y. V. Bataleva [et al.] // Lithos. - 2017. - Vol. 286-287. - P. 151-161, DOI 10.1016/j.lithos.2017.06.010. - 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. . - ISSN 0024-4937
   Перевод заглавия: Карбид железа как источник углерода для образования графита и алмаза при Р-Т параметрах литосферной мантии
Кл.слова (ненормированные):
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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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Koptyug ave 3, Novosibirsk, Russian Federation
Novosibirsk State University, Pirogova str 2, Novosibirsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Akademgorodok 50, bld. 38, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Y. N.; Borzdov, Y. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Zdrokov, E. V.
}
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12.

Metal-semiconductor (semimetal) superlattices on a graphite sheet with vacancies / L. A. Chernozatonskii [et al.] // JETP Letters. - 2006. - Vol. 84, Is. 3. - P. 115-118, DOI 10.1134/S0021364006150033. - Cited References: 25 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
PSEUDOPOTENTIALS
FILMS
Аннотация: It has been found that periodically closely spaced vacancies on a graphite sheet cause a significant rearrangement of its electronic spectrum: metallic waveguides with a high density of states near the Fermi level are formed along the vacancy lines. In the direction perpendicular to these lines, the spectrum exhibits a semimetal or semiconductor character with a gap where a vacancy miniband is degenerated into impurity levels.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119991, Russia
Humboldt Univ, Inst Math, D-12489 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660049, Russia
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119991, Russian Federation
Institute of Mathematics, Humboldt University of Berlin, Berlin, 12489, Germany
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Chernozatonskii, L. A.; Sorokin, P. B.; Belova, E. E.; Bruning, J.; Fedorov, A. S.; Федоров, Александр Семенович
}
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13.

Mobility of Vacancies under Deformation and Their Effect on the Elastic Properties of Graphene / A. S. Fedorov [et al.] // J. Exp. Theor. Phys. - 2011. - Vol. 112, Is. 5. - P. 820-824, DOI 10.1134/S1063776111040042. - Cited References: 35 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
WALLED CARBON NANOTUBES
   INITIO MOLECULAR-DYNAMICS
   AB-INITIO
   GRAPHITE SURFACES
   DEFECTS
   IRRADIATION
   HYDROGEN
   POINTS
Кл.слова (ненормированные):
Ab initio -- Applied strain -- Density-functional methods -- Elastic properties -- Graphene sheets -- Linear dependence -- Potential barriers -- Transition state theories -- Young's Modulus -- Elasticity -- Graphene
Аннотация: The effect of isolated vacancies on the elastic properties of a graphene sheet has been investigated by the ab initio density functional method. An almost inverse linear dependence of the Young's modulus on the concentration of vacancies has been revealed. The height of potential barriers for the motion of vacancies in various directions has been calculated as a function of various independent applied strains. The velocity of vacancies at various temperatures has been calculated as a function of applied strains using the transition state theory. DOI: 10.1134/S1063776111040042

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Держатели документа:
[Fedorov, A. S.
Popov, Z. I.
Kuzubov, A. A.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Fedorov, D. A.
Anan'eva, Yu. E.
Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
ИФ СО РАН
Siberian Branch, Kirensky Institute of Physics, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660028, Russian Federation

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Fedorov, D. A.; Федоров, Дмитрий Александрович; Popov, Z. I.; Попов, Захар Иванович; Anan'eva, Y. E.; Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович
}
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14.

Novikov, P. V.
Characteristics of the heating dynamics of a graphite conductor taking into account the skin effect / P. V. Novikov, G. N. Churilov // Tech. Phys. - 2000. - Vol. 45, Is. 9. - P. 1214-1218, DOI 10.1134/1.1318113. - Cited References: 13 . - ISSN 1063-7842

РУБ Physics, Applied
Рубрики:
FULLERENES
C-60
SPECTRA
Аннотация: Calculations for a one-dimensional model of RF heating of a cylindrical graphite conductor have been carried out. The heating dynamics are analyzed in the general form. Conductor temperature profiles and the times for heating up to the graphite sublimation temperature as a function of current and frequency have been obtained. A model of conductor heating with partial return of the energy irradiated by the conductor surface has been considered. Frequency and current ranges have been determined to carry out this graphite sublimation method in a chamber with reflecting walls. The problem is associated with carbon vapor production and subsequent synthesis of fullerenes and other carbon structures. (C) 2000 MAIK "Nauka/ Interperiodica".

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Держатели документа:
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич
}
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15.

    Oxidation of Ag nanoparticles in aqueous media: Effect of particle size and capping / Y. L. Mikhlin [et al.] // Appl. Surf. Sci. - 2014. - Vol. 297. - P. 75-83, DOI 10.1016/j.apsusc.2014.01.081. - Cited References: 58. - This work was partially financially supported by the Ministry of Education and Science of RF (Grant 8580) and RFBR (12-03-31178). . - ISSN 0169-4332. - ISSN 1873-5584
   Перевод заглавия: Окисление наночастиц Ag в водной среде: Влияние размера частиц и оболочки.

РУБ Chemistry, Physical + Materials Science, Coatings & Films + Physics, Applied + Physics, Condensed Matter
Рубрики:
EX-SITU XPS
   POLYCRYSTALLINE SILVER ELECTRODES
   RAY PHOTOELECTRON-SPECTROSCOPY
   METAL NANOPARTICLES
   ELECTROCHEMICAL OXIDATION
   ABSORPTION SPECTROSCOPY
   PYROLYTIC-GRAPHITE
   OXYGEN-ADSORPTION
   TRANSFORMATIONS
   DISSOLUTION
Кл.слова (ненормированные):
Silver nanoparticles -- Oxidation -- Resistive switching effect -- X-ray photoelectron spectroscopy
Аннотация: Many applications and environmental impact of silver-bearing nanomaterials critically depend upon their specific reactivity, which is still poorly understood. Here, silver nanoparticles (Ag NPs) of about 3-5 nm and 10-12 nm in diameter, uncapped and capped with l-glucose or citrate, were prepared, characterized using UV-vis absorption spectroscopy, SAXS, TEM, and their (electro) chemical oxidation was examined in comparison with each other and bulk metal applying scanning tunneling microscopy and spectroscopy, cyclic voltammetry, and XPS. A resistive switching effect was found in the tunneling spectra measured in air at the smaller uncapped Ag NPs deposited on HOPG and was interpreted in terms of Ag transfer between the particle and the probe. The anodic oxidation of these Ag NPs in 1 M NaOH yielded 3D Ag2O, while only a layer of "primary"Ag(I) oxide emerged on larger uncapped nanoparticles during the potential sweep. The formation of AgO at higher potentials proceeded readily at the "primary"oxide but was retarded at the smaller NPs. The citrate- and glucose-capping substantially impeded the formation both of Ag2O and AgO. The findings highlighted, particularly, a non-trivial effect of particle size and transient mobilization of Ag species on the reactions of silver nanoparticles. (c) 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Mikhlin, Y. L.; Vishnyakova, E. A.; Romanchenko, A. S.; Saikova, S. V.; Сайкова, С. В.; Likhatski, M. N.; Larichev, Y. V.; Tuzikov, F. V.; Zaikovskii, V. I.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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16.

    Phonon topology and winding of spectral weight in graphite / N. D. Andriushin, A. S. Sukhanov, A. N. Korshunov [et al.] // Phys. Rev. Lett. - 2023. - Vol. 131, Is. 24. - Ст. 246601, DOI 10.1103/PhysRevLett.131.246601. - Cited References: 42. - We thank R. Coldea for stimulating discussions. A. Bosak participated in the discussion and preparation of the experiment. We acknowledge financial support from the Swiss National Science Foundation, from the European Research Council under the grant Hyper Quantum Criticality (HyperQC), the German Research Foundation (DFG) through the Collaborative Research Center SFB 1143 (Project No. 247310070), and from the European Union Horizon 2020 research and innovation program under Marie Skłodowska-Curie Grant No. 884104. We acknowledge the European Synchrotron Radiation Facility (ESRF) for provision of synchrotron radiation facilities . - ISSN 0031-9007. - ISSN 1079-7114
   Перевод заглавия: Топология фононов и модуляция спектрального веса в графите
Аннотация: The topology of electronic and phonon band structures of graphene is well studied and known to exhibit a Dirac cone at the K point of the Brillouin zone. Here, we applied inelastic x-ray scattering (IXS) along with ab initio calculations to investigate phonon topology in graphite, the 3D analog of graphene. We identified a pair of modes that form a very weakly gapped linear anticrossing at the K point that can be essentially viewed as a Dirac cone approximant. The IXS intensity in the vicinity of the quasi-Dirac point reveals a harmonic modulation of the phonon spectral weight above and below the Dirac energy, which was previously proposed as an experimental fingerprint of the nontrivial topology. We illustrate how the topological winding of IXS intensity can be understood in terms of atomic displacements and highlight that the intensity winding is not in fact sensitive in telling quasi- and true Dirac points apart.

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Держатели документа:
Institut fur Festkorper- und Materialphysik, Technische Universitat Dresden, D-01069 Dresden, Germany
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Quantum Criticality and Dynamics Group, Paul Scherrer Institut, CH-5232 Villigen-PSI, Switzerland
Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen-PSI, Switzerland

Доп.точки доступа:
Andriushin, N. D.; Sukhanov, A. S.; Korshunov, A. N.; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Rahn, M. C.; Nikitin, S. E.
}
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17.

    Processes and conditions of the origin for Fe3+-bearing magnesiowustite under lithospheric mantle pressures and temperatures / Y. Bataleva [et al.] // Minerals. - 2019. - Vol. 9, Is. 8. - Ст. 474, DOI 10.3390/min9080474. - Cited References: 82. - This research was performed by state assignment of IGM SB RAS (project No. 0330-2016-0007). . - ISSN 2075-163X
   Перевод заглавия: Процессы и условия зарождения магнезиовюстита, несущего Fe3+, при давлении и температуре литосферной мантии
Рубрики:
Mineral Geochemistry and Geochronology
Кл.слова (ненормированные):
Fe3+-bearing magnesiowustite -- Mantle oxides -- Experimental modeling -- High-pressure experiment -- Redox reactions -- Lithospheric mantle -- Diamond -- Graphite
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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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Koptyug ave 3, Novosibirsk, 630090, Russian Federation
Department of Geology and Geophysics, Novosibirsk State University, Pirogova str 2, Novosibirsk, 630090, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Akademgorodok 50, bld. 38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Bataleva, Y.; Palyanov, Y.; Borzdov, Y.; Bayukov, O. A.; Баюков, Олег Артемьевич
}
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18.

Superlattices consisting of "lines" of adsorbed hydrogen atom pairs on graphene / L. A. Chernozatonskii [et al.] // JETP Letters. - 2007. - Vol. 85, Is. 1. - P. 77-81, DOI 10.1134/S002136400701016X. - Cited References: 25 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
CARBON NANOTUBES
   ELECTRON-GAS
   GRAPHITE
   FILMS
   PSEUDOPOTENTIALS
Аннотация: The structures and electron properties of new superlattices formed on graphene by adsorbed hydrogen molecules are theoretically described. It has been shown that superlattices of the (n, 0) zigzag type with linearly arranged pairs of H atoms have band structures similar to the spectra of (n, 0) carbon nanotubes. At the same time. superlattices of the (n, n) type with a "staircase" of adsorbed pairs of H atoms are substantially metallic with a high density of electronic states at the Fermi level and this property distinguishes their spectra from the spectra of the corresponding (n, n) nanotubes. The features of the spectra have the Van Hove form, which is characteristic of each individual superlattice. The possibility of using such planar structures with nanometer thickness is discussed.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Humboldt Univ, Inst Math, D-12489 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660049, Russia
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119334, Russian Federation
Institute of Mathematics, Humboldt University of Berlin, Berlin, 12489, Germany
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Chernozatonskii, L. A.; Sorokin, P. B.; Belova, E. E.; Bruning, J.; Fedorov, A. S.; Федоров, Александр Семенович
}
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19.

Synthesis and properties of plasma-deposited carbon condensates / G. A. Glushchenko [et al.] // Tech. Phys. Lett. - 2003. - Vol. 29, Is. 11. - P. 933-935, DOI 10.1134/1.1631368. - Cited References: 9 . - ISSN 1063-7850

РУБ Physics, Applied
Рубрики:
GRAPHITE
Аннотация: Structural data, thermal characteristics, and theoretically calculated binding energies are reported for a graphite condensate obtained by carbon deposition from plasma. It is demonstrated that this condensate can be effectively used in self-propagating high-temperature synthesis processes. (C) 2003 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Krasnoyarsk State Tech Univ, Krasnoyarsk, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Div, Krasnoyarsk, Russia
ИФ СО РАН
ИХХТ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Krasnoyarsk Stt. Tech. University, Krasnoyarsk, Russian Federation
Inst. of Chem./Chemical Technology, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Glushchenko, G. A.; Глущенко, Гарий Анатольевич; Bulina, N. V.; Булина, Наталья Васильевна; Novikov, P. V.; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Churilov, G. N.; Чурилов, Григорий Николаевич
}
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20.

Synthesis of transition metal coatings using arabinogalactan / S. V. Stolyar, L. A. Chekanova, E. V. Cheremiskina [et al.] // Bull. Russ. Acad. Sci. Phys. - 2022. - Vol. 86, Is. 5. - P. 597-600, DOI 10.3103/S1062873822050264. - Cited References: 19. - The study was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Regional Science Foundation (project no. 20-43-240003) . - ISSN 1062-8738
Кл.слова (ненормированные):
Alkalinity -- Carbon -- Coatings -- Crystal structure -- Alkaline media -- Arabinogalactan -- Carbon containing -- Chemical compositions -- Chemical deposition -- Crystals structures -- Graphite inclusions -- Ni coating -- Synthesised -- X- ray diffractions -- Transition metals
Аннотация: Carbon-containing transition metal (Fe, Co, Ni) coatings are synthesized via chemical deposition with arabinogalactan. The crystal structure and chemical composition of the coatings are determined. Data from magnetometry and X-ray diffraction show that carbon is not included in the crystal lattice of a metal. Instead, it exists in the form of graphite inclusions. Degradation of arabinogalactan in an alkaline medium on the surface of a galvanic pair is investigated.

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Публикация на русском языке Получение покрытий переходных металлов в присутствии арабиногалактана [Текст] / С. В. Столяр, Л. А. Чеканова, Е. В. Черемискина [и др.] // Изв. РАН. Сер. физич. - 2022. - Т. 86. № 5. - С. 711-715

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Ural Federal University, Yekaterinburg, 620075, Russian Federation

Доп.точки доступа:
Stolyar, S. V.; Столяр, Сергей Викторович; Chekanova, L. A.; Чеканова, Лидия Александровна; Cheremiskina, E. V.; Yaroslavtsev, R. N.; Ярославцев, Роман Николаевич; Taran, O. P.; Borovkova, V. S.; Malyar, Y. N.; Neznakhin, D. S.; Komogortsev, S. V.; Комогорцев, Сергей Викторович
}
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