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A key role of tensile strain and surface termination in formation and properties of La0.7Sr0.3MnO3 composites with carbon nanotubes / E. A. Kovaleva [et al.] // Comput. Mater. Sci. - 2017. - Vol. 139. - P. 125-131, DOI 10.1016/j.commatsci.2017.07.021. - Cited References: 39. - This work was supported by National Research Foundation of Republic of Korea under Grant No. NRF-2017R1A2B4004440 and the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1455.2017/PCh). The authors would like to thank Joint Supercomputer Center of RAS, Moscow; Center of Equipment for Joint Use of Siberian Federal University, Krasnoyarsk; and Information Technology Centre, Novosibirsk State University for providing the access to their supercomputers. P.B.S gratefully acknowledges the financial supports of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST «MISiS» (No. К2-2017-001) and RFBR, according to the research project No. 16-32-60138 mol_a_dk. E.A. Kovaleva would also like to acknowledge the program of the President of Russian Federation for Leading Scientific Schools Support (Grant No. 2016 NSh-7559.2016.2). . - ISSN 0927-0256
Кл.слова (ненормированные):
Carbon nanotubes -- LSMO -- Interface -- Spin polarization
Аннотация: Atomic and electronic structure of LSMO-based composites with carbon nanotubes were studied by means of density functional theory with respect to the termination of LSMO surface. The deformation of the tubes caused by the lattice mismatch with the substrate leads to a major change in their electronic structure. The surface terminated with Mn-O layer provides much stronger interaction with carbon nanotubes than Sr-O terminated one does. The interaction with transition metal atoms is essential for spin polarization of the nanotube while no spin injection was observed for Sr-O-supported tubes. © 2017 Elsevier B.V.

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Держатели документа:
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
L.V. Kirensky Institute of Physics, 50 Akademgorodok, Krasnoyarsk, Russian Federation
Kyungpook National University, 80 Daehakro, Bukgu, Daegu, South Korea
National University of Science and Technology MISiS, 4 Leninskiy prospekt, Moscow, Russian Federation

Доп.точки доступа:
Kovaleva, E. A.; Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Kholtobina, A. S.; Kuklin, A. V.; Куклин, Артем Валентинович; Tomilin, F. N.; Томилин, Феликс Николаевич; Sorokin, P. B.
}
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Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
}
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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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Ab-initio investigation of hydrogen absorption by magnesium nanoparticles [Text] / A. S. Fedorov, G. N1. Churilov [et al.] // 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. - P603-610. - (SNATO Science for Peace and Security Series Subseries: NATO Science for Peace and Security Series C: Environmental Security), DOI 10.1007/978-1-4020-8898-8_75 . - ISBN 1874-6519

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Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Churilov, G. N.; Чурилов, Григорий Николаевич; Kuzubov, A.A.; Serjantova, M.V.; "Carbon Nanomaterials in Clean-Energy Hydrogen Systems", national conference(2008 ; Sep. ; 22-28 ; Sudak, Crimea)
}
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Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Physica status solidi B - Basic Solid State Physics. - 2009. - Т. 246, № 11-12. - P. 2598-2601, DOI 10.1002/pssb.200982285 . - ISSN 0370-1972. - ISSN 1521-3951

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Krasnoyarsk Railway Transport Institute
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Sadreev, A. F.; Садреев, Алмаз Фаттахович
}
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
}
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Ab-initio study of hydrogen chemical adsorption on the platinum surface/carbon nanotube join system [Text] / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Physica status solidi B - Basic Solid State Physics. - 2008. - Vol. 245, № 8. - P1546-1551

Доп.точки доступа:
Fedorov, A.S.; Sorokin, P.B.; Kuzubov, A. A.
Свободных экз. нет}
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Bolotskikh, L. T.
Amplified phase-conjugate reflection of lambda = 10.51 MU-M radiation in gaseous SF6 / L. T. Bolotskikh, A. K. POPOV // Appl. Phys. B. - 1983. - Vol. 31, Is. 3. - P. 191-192, DOI 10.1007/BF00688842. - Cited References: 7 . - ISSN 0721-7269

РУБ Physics, Applied

Кл.слова (ненормированные):
42.65 -- LASERS, CARBON DIOXIDE -- SULFUR COMPOUNDS -- SULFUR HEXAFLUORIDE -- LASER BEAMS

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Держатели документа:
Siberian Branch, L. V. Kirensky, Institute of Physics, USSR Academy of Sciences, Krasnoyarsk, SU-660036, Russia

Доп.точки доступа:
Popov, A. K.; Попов, Александр Кузьмич
}
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Arc synthesis of silicon-doped heterofullerenes in plasma at atmospheric pressure / N. V. Bulina [et al.] // Fullerenes Nanotubes and Carbon Nanostructures. - 2007. - Т. 15, № 5. - С. 395-400, DOI 10.1080/15363830701512229 . - ISSN 1536-383X. - ISSN 1536-4046

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences
Max-Planck-Institut fur Kernphysik
Доп.точки доступа:
Bulina, N. V.; Булина, Наталья Васильевна; Lopatin, V. A.; Лопатин, Владислав Александрович; Vnukova, N. G.; Внукова, Наталья Григорьевна; Osipova, I. V.; Осипова, Ирина Владимировна; Churilov, G. N.; Чурилов, Григорий Николаевич; Krtschmer, W.
}
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10.

Band-gap unification of partially Si-substituted single-wall carbon nanotubes / P. V. Avramov [et al.] // Phys. Rev. B. - 2006. - Vol. 74, Is. 24. - Ст. 245417, DOI 10.1103/PhysRevB.74.245417. - Cited References: 72 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
SILICON-CARBIDE NANOTUBES
   DENSITY-FUNCTIONAL THEORY
   TOTAL-ENERGY CALCULATIONS
   WAVE BASIS-SET
   ELECTRONIC-STRUCTURE
   AB-INITIO
   NANORODS
   EXCITATIONS
   TRANSITION
   NANOWIRES
Аннотация: The atomic and electronic structure of a set of pristine single wall SiC nanotubes as well as Si-substituted carbon nanotubes and a SiC sheet was studied by the local-density approximation (LDA) plane wave band structure calculations. Consecutive substitution of carbon atoms by Si leads to a gap opening in the energetic spectrum of the metallic (8,8) SWCNT with approximately quadratic dependence of the band gap upon the Si concentration. The same substitution for the semiconductor (10,0) single wall carbon nanotubes (SWCNT) results in a band gap minimum (0.27 eV) at similar to 25% of Si concentration. In the Si concentration region of 12-18 %, both types of nanotubes have less than 0.5 eV direct band gaps at the Gamma-Gamma point. The calculation of the chiral (8,2) SWSi0.15C0.85NT system gives a similar (0.6 eV) direct band gap. The regular distribution of Si atoms in the atomic lattice is by similar to 0.1 eV/atom energetically preferable in comparison with a random distribution. Time dependent density functional theory (DFT) calculations showed that the silicon substitution sufficiently increases (roughly by one order of magnitude) the total probability of optical transitions in the near infrared region, which is caused by the opening of the direct band gap in metallic SWCNTs, the unification of the nature and energy of the band gaps of all SWCNT species, the large values of Si3p parallel to r parallel to Si3s radial integrals and participation of Si3d states in chemical bonding in both valence and conductance bands.

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Держатели документа:
Japan Atom Energy Res Inst, Adv Sci Res Ctr, Takasaki Branch, Takasaki, Gumma 3701292, Japan
RAS, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
RAS, Inst Biochem Phys, Moscow 119991, Russia
AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
Kyoto Univ, Dept Energy Sci & Technol, Sakyo Ku, Kyoto 6068501, Japan
ИФ СО РАН
Takasaki-branch, Advanced Science Research Center, Japan Atomic Energy Agency, Takasaki, 370-1292, Japan
L.V. Kirensky Institute of Physics SB RAS, 660036 Krasnoyarsk, Russian Federation
Institute of Biochemical Physics of RAS, 119991 Moscow, Russian Federation
Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, 305-8568, Japan
Department of Energy Science and Technology, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Sorokin, P. B.; Fedorov, A. S.; Федоров, Александр Семенович; Fedorov, D. G.; Maeda, Y.
}
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11.

Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. B. - 2009. - Vol. 3, Is. 4. - P. 679-683, DOI 10.1134/S1990793109040289. - Cited References: 27. - This work was supported by the analytical departmental program "Development of Higher Education Potential (2009-2100)" (grant 2.1.1/2584) and by the Russian Foundation for Basic Research, project no. 09-02-00324-a. . - ISSN 1990-7931

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   TEMPERATURE
   TRANSITION
   DYNAMICS
   METALS
Аннотация: Complexes of zigzag-type carbon nanotubes (CNTs) with transition metal atoms, scandium and titanium, were studied. It was demonstrated that the energy of binding of both atoms with a carbon surface decreases whereas the rate of diffusion along the surface increases with increasing nanotube diameter. The rate constant of migration of scandium atoms over a CNT surface are several orders of magnitude higher than that for titanium atoms, because the CNT surface-Sc atom binding energy is substantially lower.

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Держатели документа:
Institute of Natural and Humanitarian Sciences, Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Kozhevnikov, T. A.; Popov, M. A.; Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
}
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12.

Carbon coated nickel nanoparticles produced in high-frequency arc plasma at ambient pressure / N. Vnukova [et al.] // J. Magn. Magn. Mater. - 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P. 164-166, DOI 10.1016/j.jmmm.2016.12.142. - Cited References:10. - The work was supported by Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement No 14.613.21.0010, ID RFMEFI61314X0010). . - ISSN 0304-8853. - ISSN 1873-4766

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
FULLERENES
NI3C
Кл.слова (ненормированные):
Nanoparticles -- Carbon -- Nickel
Аннотация: The nickel particles with the mean size about 10-20 nm coated with carbon were extracted by the treatment of the carbon condensate with nitric and hydrochloric acids. The initial carbon condensate containing nickel nanoparticles with a graphite conversion was synthesized in the high-frequency carbon-helium arc plasma at ambient pressure with the nickel nanoparticles as a catalyst. The nickel content in the nanoparticles was 84.6 wt %. Magnetic properties of the nanoparticles are characterized by the high hysteresis and thermal stability. The sample of compacted nanoparticles is characterized by electrical resistance much higher than it in of compacted initial condensate.

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Доп.точки доступа:
Vnukova, N. G.; Внукова, Наталья Григорьевна; Dudnik, A. I.; Дудник, Александр Иванович; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Nemtsev, I. V.; Volochaev, M.; Osipova, I. V.; Осипова, Ирина Владимировна; Churilov, G. N.; Чурилов, Григорий Николаевич; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН
}
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13.

    Carbon double coated Fe3O4@C@C nanoparticles: Morphology features, magnetic properties, dye adsorption / C. R. Lin, O. S. Ivanova, I. S. Edelman [et al.] // Nanomaterials. - 2022. - Vol. 12, Is. 3. - Ст. 376, DOI 10.3390/nano12030376. - Cited References: 44. - The work was supported financially by the Russian Foundation for Basic Research, Grant No. 19-52-52002 and Ministry of Science and Technology of Taiwan, Grants MOST No. 108-2923-M-153-001-MY3 and No. 109-2112-M-153-003-. The support was obtained also from the Joint Scientific Center of the Siberian Federal University supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation, where the Transmission Electron Microscopy studies were carried out . - ISSN 2079-4991
   Перевод заглавия: Наночастицы Fe3O4@C@C с двойным углеродным покрытием: Морфологические особенности, магнитные свойства, адсорбция красителей

РУБ Chemistry, Multidisciplinary + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
SOLID-PHASE EXTRACTION
FE3O4 NANOPARTICLES
PROFILE REFINEMENT
Кл.слова (ненормированные):
core-shell Fe3O4@C nanoparticles -- core-shell Fe3O4@C@C nanoparticles -- magnetic properties -- dyes adsorption
Аннотация: This work is devoted to the study of magnetic Fe3O4 nanoparticles doubly coated with carbon. First, Fe3O4@C nanoparticles were synthesized by thermal decomposition. Then these synthesized nanoparticles, 20–30 nm in size were processed in a solution of glucose at 200 °C during 12 h, which led to an unexpected phenomenon – the nanoparticles self-assembled into large conglomerates of a regular shape of about 300 nm in size. The morphology and features of the magnetic properties of the obtained hybrid nanoparticles were characterized by transmission electron microscopy, differential thermo-gravimetric analysis, vibrating sample magnetometer, magnetic circular dichroism and Mössbauer spectroscopy. It was shown that the magnetic core of Fe3O4@C nanoparticles was nano-crystalline, corresponding to the Fe3O4 phase. The Fe3O4@C@C nanoparticles presumably contain Fe3O4 phase (80%) with admixture of maghemite (20%), the thickness of the carbon shell in the first case was of about 2–4 nm. The formation of very large nanoparticle conglomerates with a linear size up to 300 nm and of the same regular shape is a remarkable peculiarity of the Fe3O4@C@C nanoparticles. Adsorption of organic dyes from water by the studied nanoparticles was also studied. The best candidates for the removal of dyes were Fe3O4@C@C nanoparticles. The kinetic data showed that the adsorption processes were associated with the pseudo-second order mechanism for cationic dye methylene blue (MB) and anionic dye Congo red (CR). The equilibrium data were more consistent with the Langmuir isotherm and were perfectly described by the Langmuir–Freundlich model.

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Держатели документа:
Natl Pingtung Univ, Dept Appl Phys, Pingtung City 90003, Taiwan.
RAS, FRC KSC SB, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
RAS, FRC KSC SB, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Lin, Chun-Rong; Ivanova, O. S.; Иванова, Оксана Станиславовна; Edelman, I. S.; Эдельман, Ирина Самсоновна; Knyazev, Yu. V.; Князев, Юрий Владимирович; Zharkov, S. M.; Жарков, Сергей Михайлович; Petrov, D. A.; Петров, Дмитрий Анатольевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Svetlitsky, E. S.; Светлицкий, Евгений Сергеевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Solovyov, Leonid A.; Chen, Ying-Zhen; Tseng, Yaw-Teng; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [19-52-52002]; Ministry of Science and Technology of TaiwanMinistry of Science and Technology, Taiwan [108-2923-M-153-001-MY3, 109-2112-M-153-003]; Joint Scientific Center of the Siberian Federal University [FSRZ-2020-0011]; Ministry of Science and Higher Education of the Russian Federation
}
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14.

Catalyzed M–C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes / V. V. Verpekin, O. V. Semeikin, A. D. Vasiliev [et al.] // RSC Adv. - 2020. - Vol. 10, Is. 29. - P. 17014-17025, DOI 10.1039/d0ra02333g. - Cited References: 86. - This research was funded by a grant from the Russian Science Foundation (project No. 18-73-00150). . - ISSN 2046-2069

РУБ Chemistry, Multidisciplinary
Рубрики:
NONLINEAR-OPTICAL PROPERTIES
METAL ALKYNYL COMPLEXES
CARBON BOND FORMATION
Аннотация: The reactions between terminal ethynylpyridines, (trimethylsilyl)ethynylpyridines and cyclopentadienyliron dicarbonyl iodide were studied under Pd/Cu-catalyzed conditions to develop a synthetic approach to the σ-alkynyl iron complexes Cp(CO)2Fe–C≡C–R (R = ortho-, meta-, para-pyridyl). Depending on the catalyst and reagents used, the yields of the desired σ-pyridylethynyl complexes varied from 40 to 95%. In some cases the reactions with ortho-ethynylpyridine gave as byproduct the unexpected binuclear FePd μ-pyridylvinylidene complex [Cp(CO)Fe{μ2-η1(Cα):η1(Cα)-κ1(N)-Cα=Cβ(H)(o-C5H4N)}(μ-CO)PdI]. The conditions, catalysts, and reagents that provide the highest yields of the desired σ-pyridylethynyl iron compounds were determined. The methods developed allowed the synthesis of the corresponding σ-4-benzothiadiazolylethynyl complex Cp(CO)2Fe–C≡C–(4-C6H3N2S) as well. Eventually, synthetic approaches to σ-alkynyl iron complexes of the type Cp(CO)2Fe–C≡C–R (R = ortho-, meta-, para-pyridyl, 4-benzothiadiazol-2,1,3-yl) based on the Pd/Cu-catalyzed cross-coupling reactions were elaborated.

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Держатели документа:
Russian Acad Sci, Krasnoyarsk Res Ctr, Siberian Branch, Inst Chem & Chem Technol, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.
Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Ul Vavilova 28, Moscow 119991, Russia.
Russian Acad Sci, Siberian Branch, Krasnoyarsk Res Ctr, Inst Phys, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sobodny Prospect 79, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Verpekin, Victor V.; Semeikin, Oleg, V; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kondrasenko, Alexander A.; Belousov, Yu. A.; Ustynyuk, Nikolai A.; Russian Science FoundationRussian Science Foundation (RSF) [18-73-00150]
}
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15.

    Characterization of the iron oxide phases formed during the synthesis of core-shell FexOy@C nanoparticles modified with Ag / D. A. Petrov, C. R. Lin, R. D. Ivantsov [et al.] // Nanotechnology. - 2020. - Vol. 31, Is. 39. - Ст. 395703, DOI 10.1088/1361-6528/ab9af2. - Cited References: 46. - The reported study was funded by Joint Research Project of Russian Foundation for Basic Research № 19-52-52002 and Ministry of Science and Technology, Taiwan MOST № 108-2923-M-153-001-MY3 and № 106-2112-M-153-001-MY3. The samples of series 1 were studied with the support of the Ministry of Science and Higher Education of the Russian Federation within the State assignment FSRC «Crystallography and Photonics» RAS. The electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation . - ISSN 1361-6528
   Перевод заглавия: Идентификация фаз оксида железа, формирующихся в процессе синтеза наночастиц FexOy@C с морфологией ядро-оболочка, модифицированных Ag
Кл.слова (ненормированные):
core–shell nanoparticles -- iron oxides -- carbon shell -- Ag nanoparticles
Аннотация: Core–shell FexOy@C nanoparticles (NPs) modified with Ag were studied with x-ray diffraction, transmission electron microscopy, energy dispersive elemental mapping, Mössbauer spectroscopy, static magnetic measurements, and optical magnetic circular dichroism (MCD). FexOy@C NPs synthesized by the pyrolysis process of the mixture of Fe(NO3)3 centerdot 9H2O with oleylamine and oleic acid were added to a heated mixture of oleylamine and AgNO3 in different concentrations. The final product was a mixture of iron oxide crystalline NPs in an amorphous carbon shell and Ag crystalline NPs. The iron oxide NPs were presented by two magnetic phases with extremely close crystal structures: Fe3O4 and γ-Fe2O3. Ag is shown to form crystalline NPs located very close to the iron oxide NPs. An assumption is made about the formation of hybrid FexOy@C-Ag NPs. Correlations were obtained between the Ag concentration in the fabricated samples, their magnetic properties and the MCD spectrum shape. Introducing Ag led to a approximately linear decrease of the NPs saturation magnetization depending upon the Ag concentration, it also resulted into the MCD spectrum shift to the lower light wave energies. MCD was also studied for the Fe3O4@C NPs synthesized earlier with the same one-step process using different heat treatment temperatures, and MCD spectra were compared for two series of NPs. A possible contribution of the surface plasmon excitation in Ag NPs to the MCD spectrum of the FexOy@C-Ag NPs is discussed.

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Держатели документа:
Kirensky Institute of Physics, FRC, KSC, SB RAS, Krasnoyarsk 660036, Russia
National Pingtung University, Pingtung City, Pingtung County 90003, Taiwan
Siberian Federal University, Svobodny Av., 79, Krasnoyarsk 660041, Russia
Shubnikov Institute of Crystallography of FSRC 'Crystallography and Photonics' RAS, Moscow 119333, Russia

Доп.точки доступа:
Petrov, D. A.; Петров, Дмитрий Анатольевич; Lin, C. R.; Ivantsov, R. D.; Иванцов, Руслан Дмитриевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Knyazev, Yu. V.; Князев, Юрий Владимирович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Tseng, Y. T.; Lin, E. S.; Edelman, I. S.; Эдельман, Ирина Самсоновна; Baskakov, A. O.; Starchikov, S. S.; Lyubutin, I. S.
}
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16.

Co/multi-walled carbon nanotubes/polyethylene composites for microwave absorption: Tuning the effectiveness of electromagnetic shielding by varying the components ratio / M. A. Kazakova, N. V. Semikolenova, E. Y. Korovin [et al.] // Compos. Sci. Technol. - 2021. - Vol. 207. - Ст. 108731, DOI 10.1016/j.compscitech.2021.108731. - Cited References: 45. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the state assignment for Boreskov Institute of Catalysis (project # АААА-А21-121011390054-1) . - ISSN 0266-3538
Кл.слова (ненормированные):
Polymer composites -- Multi-walled carbon nanotubes -- Co nanoparticles -- Hybrid structures -- Electromagnetic interference shielding
Аннотация: We present novel polyethylene (PE) composites for electromagnetic interference (EMI) shielding application. They are based on cobalt modified multi-walled carbon nanotubes (MWCNTs) produced via in situ polymerization of ethylene, with the Ti-Ziegler–Natta catalyst preliminarily immobilized on Co/MWCNT hybrids. The electromagnetic properties of the composites were tuned by varying the filler loading and Co:MWCNT ratio. The microstructure of the composites and electromagnetic absorption process were carefully characterized by transmission and scanning electron microscopy, X-ray diffraction, vibrating sample magnetometry, ferromagnetic resonance and vector network analysis. The electromagnetic wave absorbing properties of the nanocomposite were investigated in the 10 MHz−18 GHz frequency range revealing that the EMI absorption properties can be tuned by varying the Co:MWCNT weight ratio in the filler. Interestingly, the Co/MWCNT-PE composite with a total filler and Co loading of only 12 and 1.7 wt%, respectively, showed extremely high reflection loss (RL) of −55 dB. More importantly, an effective bandwidth of 12.8–17.8 GHz (RL below −10 dB) was achieved for a matching thickness of only 1.5 mm. The specific RL value (RL/filler loading) of the composite was superior in comparison with the previously reported nanostructured carbon materials. The highly effective absorbing properties of Co/MWCNT-PE composites are explained primarily by the unprecedented uniform filler distribution in the polyethylene as well as by the synergistic effect of MWCNTs and Co nanoparticles. This approach thus offered an effective strategy to design cost-effective, lightweight and flexible EMI shielding materials with tunable dielectric and magnetic performance.

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Держатели документа:
Boreskov Institute of Catalysis, SB RAS, Lavrentieva 5, Novosibirsk, 630090, Russian Federation
National Research Tomsk State University, Lenin Ave. 36, Tomsk, 634050, Russian Federation
Kirensky Institute of Physics, SB RAS, Akademgorodok St. 50, Krasnoyarsk, 660036, Russian Federation
TOTAL Research and Technology Feluy (TRTF), Zone Industrielle C, Feluy, 7181, Belgium
Soft Matter Science and Engineering (SIMM), UMR CNRS 7615, ESPCI Paris, Universite PSL, Sorbonne Universite, Paris, 75005, France

Доп.точки доступа:
Kazakova, M. A.; Semikolenova, N. V.; Korovin, E. Y.; Zhuravlev, V. A.; Selyutin, A. G.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Moseenkov, S. I.; Andreev, A. S.; Lapina, O. B.; Suslyaev, V. I.; Matsko, M. A.; Zakharov, V. A.; Lacaillerie, J. -B.D.D.
}
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17.

Comparative analysis of two methods for synthesis of fullerenes at different helium pressures / A. I. Dudnik, I. V. Osipova, N. S. Nikolaev, G. N. Churilov // Fuller. Nanotub. Carbon Nanostruct. - 2020. - Vol. 28, Is. 9. - P. 697-701, DOI 10.1080/1536383X.2020.1746281. - Cited References: 16. - The reported study was funded by RFBR according to the research project No 18-32-20011 . - ISSN 1536-383X. - ISSN 1536-4046

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
PLASMA
   YIELD
   DISCHARGE
   PARAMETERS
   DEPENDENCE
   C60
Кл.слова (ненормированные):
Fullerene synthesis -- alternating current -- direct current
Аннотация: The results of the effect of helium pressure in the chamber on the amount and composition of the produced fullerenes (C60, C70, etc.) synthesized in the arc plasma with graphite electrodes are presented. The findings obtained when the arc is powered by a direct (DC) and alternating (AC) currents of low frequency were compared in the same chamber with the electrodes located at the same angle to each other. These two methods are drastically different. The complete conversion of graphite into fullerene soot in AC occurs, but a part of the graphite is converted into a cathode deposit that does not contain fullerenes in DC, the relative amount of which increases when decreasing the helium pressure in the chamber. The highest fullerene content in fullerene soot of 10.2 wt.% is produced at a pressure of 127.5 kPa in AC arc, but in DC arc, the highest content of fullerenes in fullerene soot of 8.3 wt.% is produced at a pressure of 33.3 kPa.

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Держатели документа:
RAS, SB, Fed Res Ctr KSC, Kirensky Inst Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Dudnik, A. I.; Дудник, Александр Иванович; Osipova, I. V.; Осипова, Ирина Владимировна; Nikolaev, N. S.; Николаев, Никита Сергеевич; Churilov, G. N.; Чурилов, Григорий Николаевич; RFBRRussian Foundation for Basic Research (RFBR) [18-32-20011]
}
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18.

    Comparative characteristics of metallofullerenes, clusterfullerenes with carbide and nitride synthesized under high and low pressure / G. N. Churilov [et al.] // International Conference Advanced Carbon Nanostructures : abstracts of invited lectures & contributed papers. - 2015. - Ст. P1-03. - P. 62
   Перевод заглавия: Сравнительные характеристики эндоэдральных метало, карбо, и азо фуллеренов, полученных при высоком и низком давлениях

Материалы конференции

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Dudnik, A. I.; Дудник, Александр Иванович; Vnukova, N. G.; Внукова, Наталья Григорьевна; Dubinina, I. A.; "Advanced carbon nanostructures", International conference(12 ; 2015 ; June 29 - July 3 ; Saint-Petersburg)
}
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19.

    Comparative characteristics of Sc2C2@C82 and C84 polymerization under high pressure / N. G. Vnukova, G. N. Churilov, Yu. M. Popov, G. A. Glushenko // 15th International Conference "Advanced carbon nanostructures" : book of abstracts. - 2021. - Fullerenes. - Ст. O4-4-10. - P. 195. - Cited References: 3. - The reported study was funded by RFBR according to the research project № 18-29-190080 . - ISBN 978-5-93634-069-7
   Перевод заглавия: Сравнительные характеристики полимеризации Sc2С2@C82 и С84 под высоким давлением

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Читать в сети ИФ

Доп.точки доступа:
Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Popov, Yu. M.; Glushenko, G. A.; Глущенко, Гарий Анатольевич; "Advanced carbon nanostructures", International conference(15 ; 2021 ; 28 June - 2 July ; Saint-Petersburg (online)); Физико-технический институт им. А.Ф. Иоффе РАН; Национальный исследовательский центр "Курчатовский институт"; Санкт-Петербургский государственный технологический институт (технический университет); Санкт-Петербургский национальный исследовательский Академический университет имени Ж.И. Алфёрова Российской академии наук
}
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20.

    Comparative study of antioxidant activity of fullerenols including higher and endohedral fullerenols by inhibition of adrenaline autoxidation / I. A. Dubinina [et al.] // International Conference Advanced Carbon Nanostructures : abstracts of invited lectures & contributed papers. - 2015. - P. 63
   Перевод заглавия: Влияние количества функциональных групп фуллеренолов на их способность ингибировать аутоокисление адреналина

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Доп.точки доступа:
Dubinina, I. A.; Dudnik, A. I.; Дудник, Александр Иванович; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; "Advanced carbon nanostructures", International conference(12 ; 2015 ; June 29 - July 3 ; Saint-Petersburg)
}
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