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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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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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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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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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Avramov, P. V.
Effect of carbon network defects on the electronic structure of semiconductor single-wall carbon nanotubes / P. V. Avramov, B. I. Yakobson, G. E. Scuseria // Phys. Solid State. - 2004. - Vol. 46, Is. 6. - P. 1168-1172, DOI 10.1134/1.1767262. - Cited References: 15 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
JUNCTIONS
Аннотация: For a single-wall (14, 0) carbon nanotube, the total density of electronic states of the ideal structure and of some possible defect structures is calculated in the framework of the band theory approach using Gaussian-type orbitals and the approximation of the generalized density gradient. It is shown that allowance for defects of the atomic structure of a nanotube makes it possible to adequately describe the existing experimental data on nanotube electronic structure. In the framework of the same approach, the total density of electronic states is calculated for an intermolecular contact of (5, 5) and (10, 0) single-wall carbon nanotubes formed due to the creation of a 5-7 defect. It is shown that the electronic states related to the contact region and the 5-7 defect lie in vicinity of the Fermi level. (C) 2004 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Rice Univ, Ctr Biol & Environm Nanotechnol, Houston, TX 77005 USA
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Ctr. for Biol./Environ. Nanotechnol., Rice University, Houston, TX 77005-1892, United States

Доп.точки доступа:
Yakobson, B. I.; Scuseria, G. E.; Аврамов, Павел Вениаминович
}
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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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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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10.

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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11.

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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12.

    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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13.

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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14.

    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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15.

Chernozatonskii, L. A.
Energy and electronic properties of non-carbon nanotubes based on silicon dioxide / L. A. Chernozatonskii, P. B. Sorokin, A. S. Fedorov // Phys. Solid State. - 2006. - Vol. 48, Is. 10. - P. 2021-2027, DOI 10.1134/S1063783406100337. - Cited References: 32 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
MOLECULAR-DYNAMICS
SIO2
Аннотация: The geometric, energy, and electronic characteristics of new non-carbon nanotubes based on silicon dioxide are investigated in the framework of the local electron density functional formalism. Nanotubes are classified according to the type of rolling-up of the SiO2 sheet. It is shown that, among the entire set of considered nanotubes with different symmetries, the (6, 0) nanotubes are energetically more favorable. The densities of states for nanotubes are calculated. It is established that all nanotubes are dielectrics with a wide band gap. The band gap varies over a wide range with a change in the longitudinal strain of the nanotube.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119991, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119991, Russian Federation
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Fedorov, A. S.; Федоров, Александр Семенович
}
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16.

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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17.

Churilov, G. N.
Fullerene C-60 formation in partially ionized carbon vapor / G. N. Churilov, A. S. Fedorov, P. V. Novikov // JETP Letters. - 2002. - Vol. 76, Is. 8. - P. 522-526, DOI 10.1134/1.1533779. - Cited References: 15 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
TOTAL-ENERGY CALCULATIONS
   WAVE BASIS-SET
   CLUSTERS
   GROWTH
Аннотация: The assembling rate of a fullerene C-60 molecule has been theoretically studied as a function of electron concentration and temperature in partially ionized carbon vapor. For C-60 formation via one or two intermediate stages of cluster collisions, it has been shown that there is a region of plasma parameters (the temperature and electron concentration) in which fullerene C-60 is formed more efficiently. The C-60 formation rate versus temperature and electron concentration relationships have been found to correlate with the trends in the collision cross-section of carbon clusters as functions of these parameters. (C) 2002 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Novikov, P. V.; Чурилов, Григорий Николаевич
}
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18.

Churilov, G. N.
Preparation of fullerenes and nanotubes in coal plasma jet in kilohertz frequency range / G. N. Churilov, A. Y. Korets, Y. N. Titarenko // Zhurnal Tek. Fiz. - 1996. - Vol. 66, Is. 1. - P. 191-194. - Cited References: 6 . - ISSN 0044-4642

РУБ Physics, Applied
Рубрики:
SPECTRA
CARBON

WOS

Доп.точки доступа:
Korets, A. Y.; Titarenko, Y. N.
}
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19.

Churilov, G. N.
Synthesis of fullerenes and other nanomaterials in arc discharge / G. N. Churilov // Fullerenes Nanotubes and Carbon Nanostructures. - 2008. - Т. 16, № 5-6. - P395-403, DOI 10.1080/15363830802281641 . - ISSN 1536-383X. - ISSN 1536-4046

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics,Siberian Branch,Russian Academy of Science
L.V. Kirensky Institute of Physic
Доп.точки доступа:
Чурилов, Григорий Николаевич
}
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20.

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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