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1.
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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2.
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
31
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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3.
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
31
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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4.
Atomic structure and
physical properties of fused porphyrin nanoclusters / P. V. Avramov [et al.]> // J. Porphyr. Phthalocyanines. - 2014. -
Vol. 18
,
Is. 7
. - P. 552-568,
DOI
10.1142/S1088424614500291. - Cited References: 66. - 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. This work was supported by the Russian Scientific Foundation, Project No. 14-13-00139. Authors are grateful for Prof. S. G. Ovchinnikov for fruitful discussions. . - ISSN 1088-4246. - ISSN 1099-1409
РУБ
Chemistry, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
HOLONOMIC QUANTUM COMPUTATION
INITIO MOLECULAR-DYNAMICS
VAPOR ABSORPTION SPECTRA
BORON-NITRIDE
NANOTUBES
ELECTRONIC-STRUCTURE
REDOX REACTIONS
EXCITED-STATES
SPIN-STATES
GRAPHENE
Кл.слова (ненормированные):
nanoclusters
--
fused porphyrins
--
electronic structure
--
mechanical properties
Аннотация:
The atomic and electronic structures, mechanical properties and potential barriers of formation of a set of meso–meso β–β fused porphyrin/metalloporphyrin nanopages, nanotapes,
nanotubes
and 2D nanofabrics were studied by GGA LC-DFT technique using cluster and PBC models. The porphyrin pages of the nanoclusters are connected with each other by graphene fragments formed by meso–meso β–β links. Fusion of all the edges of six porphyrin/metalloporphyrin units produces a novel ~ 1 nm sized molecule of cubic symmetry with a hollow cage inside. It was found that all studied nanoclusters are metastable with formation energies 0.36–7.57 kcal/mol per atom. Under applied mechanical stress, the nanoclusters exhibit superelastic and ultrastrong properties with binding graphene fragments being the weakest links for mechanical rupture. Depending on the spin-dependent reaction pathways, the hollow caged nanoclusters exhibit almost zero or low potential energy barriers (1–10 kcal/mol) during the initial stages of self-assembly. All nanoclusters exibit the main features of the electronic structures of the parent porphyrins, in particular the nature of HOMO/LUMO states and the relative energetic positions of the metal d states. The induced curvature of the hollow cage nanoclusters leads to admixture of more than 2% of the dπ⊥ states to the dσ energy region and formation of vacant superatomic molecular orbitals of d character in cubic ligand field. The Fe-derived hollow-caged nanoclusters reveal extremely high spin states with small energy differences between ferromagnetic and antiferromagnetic configurations, which can be utilized for quantum holonomic computations.
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Держатели документа:
Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Tomsk State Univ, Tomsk 634050, Russia
Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Sakai, S.; Ohtomo, M.; Entani, S.; Matsumoto, Y.; Eleseeva, N. S.; Елисеева, Наталья Сергеевна; Pomogaev, V. A.; Naramoto, H.; JAEA Research fellowship; Russian Scientific Foundation [14-13-00139]
}
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5.
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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6.
Band gap unification
of partially Si-substituted single wall carbon
nanotubes
/ P. V. Avramov, P. B. Sorokin, A. S. Fedorov [et al.]> // Phys. Rev. B. - 2006. -
Vol. 74
. - P. 245417
DOI
10.1103/PhysRevA.75.067401. - Библиогр.: 44
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Держатели документа:
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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7.
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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8.
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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9.
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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10.
Chernozatonskii, L. A.
New boron barrelenes and tubulenes / L. A. Chernozatonskii, P. B. Sorokin, B. I. Yakobson> // JETP Letters. - 2008. -
Vol. 87
,
Is. 9
. - P. 489-493,
DOI
10.1134/S0021364008090087. - Cited References: 21 . - ISSN 0021-3640
РУБ
Physics, Multidisciplinary
Рубрики:
MOLECULAR-DYNAMICS
NANOTUBES
TRANSITION
SIMULATION
Аннотация:
The structure of a new class of boron nanostructures-barrelenes and tubulenes-based on a boron atomic lattice constructed by the alternating B-atomic polygons with central atoms and without them has been proposed and their properties have been described. Ab initio density functional calculations have been performed for the energy and electronic structure of the fullerene-barrelene-nanotube series based on the lowest energy fullerene B-80. It has been shown that the energy and band gap of a barrelene are lower than the respective quantities of the corresponding fullerene and tend to the respective values for
nanotubes
in the infinite limit. It has been shown that there are isomers of
nanotubes
of the same type that are significantly different in symmetry and electronic properties: a semiconductor (C-5v symmetry) and a metal (D-5h symmetry).
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Держатели документа:
[Chernozatonskii, L. A.
Sorokin, P. B.] Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
[Sorokin, P. B.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Sorokin, P. B.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660049, Russia
[Yakobson, B. I.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA
[Yakobson, B. I.] Rice Univ, Dept Chem, Houston, TX 77251 USA
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow 119334, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660049, Russian Federation
Department of Mechanical Engineering and Material Science, Rice University, Houston, TX 77251, United States
Доп.точки доступа:
Sorokin, P. B.; Yakobson, B. I.
}
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11.
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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12.
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
31
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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13.
Churilov, G. N.
Two new discharges for production of fullerenes and
nanotubes
/ G. N. Churilov> // Progress in fullerene research / ed. H. Kuzmany [et al.]. - Singapore ; New Jersey ; London : World Scientific, 1994. - P. 135-138 . - ISBN 978-9810218874. - ISBN 981-02-1887-7
Доп.точки доступа:
Kuzmany, Hans \ed.\; Fink, Jorg \ed.\; Mehring, Michael \ed.\; Roth, Siegmar \ed.\; Чурилов, Григорий Николаевич; International Winterschool on Electronic Properties of Novel Materials(2 ; 1994 ; 5-12 March ; Kirchberg / Tyrol, Austria)
Нет сведений об экземплярах (Источник в БД не найден)
}
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14.
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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15.
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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16.
Controlled synthesis of
fullerenes and endohedral metallofullerenes in high frequency arc discharge / G. Churilov [et al.]> // Fuller. Nanotub. Carbon Nanostruct. - 2016. -
Vol. 24
,
Is. 11
. - P. 675-678,
DOI
10.1080/1536383X.2016.1207062. - Cited References: 16. - The work is supported by the Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement № 14.613.21.0010, ID RFMEFI61314X0010). . - ISSN 1536-383X
Кл.слова (ненормированные):
Fullerene
--
Endohedral metallofullerenes
--
High frequency arc discharge
--
Pressure
--
Mass spectrum
Аннотация:
The article presents the high-frequency arc discharge setup operating in helium atmosphere and applicable for the syntheses of carbon condensate with different dispersion and structure, along with fullerenes and endohedral metallofullerenes. It also highlights how the change of helium pressure in chamber can control the amount and composition of products in carbon condensate. The setup can be applied for the purposes of analysis, for instance in order to obtain information about the process of fullerenes and endohedral met-allofullerenes formation. Also, the fact that the yield of higher fullerenes is increasing with the pressure rise, whereas the yield of endohedral metallofullerenes is decreasing suggests different formation mechanisms. © 2016 Taylor & Francis Group, LLC.
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Держатели документа:
Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russian Federation
Leibniz Institute for Solid State and Materials Research, Dresden, Germany
Siberian Federal University, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Popov, A. A.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Dudnik, A. I.; Дудник, Александр Иванович; Samoylova, N.; Glushenko, G. A.; Глущенко, Гарий Анатольевич
}
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17.
Correlation of the
chemical properties of carbon
nanotubes
with their atomic and electronic structures / F. N. Tomilin [et al.] ; Translated by N. Korovin> // Phys. Solid State. - 2004. -
Vol. 46
,
Is. 6
. - P. 1179-1182,
DOI
10.1134/1.1767264. - Cited References: 16. - This work was performed at the “Quantum-Chemical Calculations of Nanoclusters” Collective Use Center of the Krasnoyarsk Center of Science and Education in High Technology, which is supported by the Russian State Federal Program “Integration of Higher Education and Fundamental Science” (projects nos. 31 and 69) and the 6th Competition of Research Projects of Young Scientists of the Russian Academy of Sciences (project no. 155) . - ISSN 1063-7834
РУБ
Physics, Condensed Matter
Аннотация:
The nature of chemical bonding in carbon nanoclusters is investigated by the PM3 semiempirical quantum-chemical method. The influence of the atomic structure on the electronic characteristics and chemical properties of nanoclusters is analyzed. A sigma-pi model is proposed for the chemical bonding in
nanotubes
. It is shown that, in the framework of the proposed model,
nanotubes
are objects characterized by a small contribution of pi states to the valence band top. (C) 2004 MAIK "Nauka/Interperiodica".
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Публикация на русском языке
Связь химических свойств углеродных нанотрубок с их атомной и электронной структурами [Текст] / Ф. Н. Томилин [и др.] // Физ. тверд. тела. - 2004. - Т. 46 Вып. 6. - С. 1143-1146
Держатели документа:
Russian Acad Sci, Siberian Div, Inst Chem & Chem Technol, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian State Technol Univ, Krasnoyarsk 660041, Russia
Krasnoyarsk State Univ, Krasnoyarsk 660079, Russia
ИФ СО РАН
ИХХТ СО РАН
Inst. of Chem./Chemical Technology, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Stt. Technol. University, Krasnoyarsk, 660041, Russian Federation
Krasnoyarsk State University, Krasnoyarsk, 660079, Russian Federation
Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Pashkov, G. L.; Пашков, Геннадий Леонидович; Korovin, N. \пер.\
}
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18.
Cyclic voltammetry as
an activation method of TiO2 nanotube arrays for improvement of photoelectrochemical water splitting performance / N. A. Zos’ko, A. S. Aleksandrovsky, T. Kenova [et al.]> // ChemPhotoChem. - 2023. -
Vol. 7
,
Is. 9
. - Ст. e202300100,
DOI
10.1002/cptc.202300100. - Cited References: 36. - The authors express their gratitude to A. M. Zhizhaev for the microscopy and XRD analysis and V. F. Shabanov for the fruitful discussion. - This work was conducted within the framework of the budget project FWES-2021-0023 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS . - ISSN 2367-0932
Кл.слова (ненормированные):
cyclic voltammetry
--
electrochemical anodization
--
photoelectrochemical activity
--
TiO2
nanotubes
--
water splitting
Аннотация:
A facile and eco-friendly method for activating anodic TiO2
nanotubes
(TNTs) by cyclic voltammetry (CV) is proposed, and photoelectrochemical properties of CV-activated TNTs are compared with those of non-activated TNTs and of TNTs activated by hydrogen-thermal reduction. EPR and luminescence studies show that the pristine samples demonstrate rather large content of paramagnetic and luminescing defects, while hydrogenation and CV-activation lead to the different type of rearrangement of defects. TNTs activated by CV-Na2SO4 demonstrate significantly improved photocurrent density (2.25 mA cm-2) in comparison with that of the hydrogen treated and pristine ones (0.93 mA cm-2 and 0.31 mA cm-2) under NUV-irradiation at 0.2 V (RHE). Enhanced photoactivity of Na2SO4-activated TNTs correlates with higher luminescence quantum yield, lowest paramagnetic defects content and larger decay time of the luminescence. Thus, a decrease in the content of defects is an important factor that reduces the non-radiative recombination of charge carriers. The activation-induced redistribution of surface and bulk defects in
nanotubes
explains the increased photoelectrochemical activity of TiO2-based anodes. Cyclic voltammetry has been proved to be a reliable method to increase the efficiency of TNTs in PEC water splitting.
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Держатели документа:
Laboratory of Catalytic Transformations of Renewable Resources Laboratory of Molecular Spectroscopy and Analysis Institute of Chemistry and Chemical Technology, SB RAS FRC «Krasnoyarsk Science Center SB RAS»,Krasnoyarsk, 660036 (Russia)
Laboratory of Coherent OpticsL.V. Kirensky Institute of Physics SB RAS FRC «Krasnoyarsk Science Center SB RAS»,Krasnoyarsk, 660036 (Russia)
Siberian Federal University, Krasnoyarsk, 660041 (Russia)
Доп.точки доступа:
Zos’ko, Nikolay A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Kenova, Tatyana; Gerasimova, Marina A.; Maksimov, Nikolay G.; Taran, Oxana P.
}
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19.
Decoration of carbon
nanomaterial powders with dispersed platinum metal particles / V. G. Isakova [et al.]> // Russ. J. Appl. Chem. - 2018. -
Vol. 91
,
Is. 7
. - P. 1209-1216,
DOI
10.1134/S1070427218070212. - Cited References: 22. - The study was performed with the support and equipment of the Center for Shared Use of the Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences. . - ISSN 1070-4272. - ISSN 1608-3296
РУБ
Chemistry, Applied
Рубрики:
NANOPARTICLES
PALLADIUM
FULLERENE
ELECTRODE
NANOTUBES
OXIDATION
Кл.слова (ненормированные):
carbon nanomaterials
--
platinum metal nanoparticles
--
in situ one-step method
Аннотация:
Carbon nanomaterials (fullerite, detonation nanodiamonds, Taunit, fullerenol, fullerene-containing black) were decorated with platinum group metal nanoparticles in situ in one step by low-temperature combustion (~250–270°С) of a powdered mixture of platinum metal acetylacetonate [Pt-M(асас)n, Pt-М = Pt(II), Pd(II), Rh(III), Ir(III), acac = CH3COCHCOCH3, n is the oxidation state of Pt-М] with carbon nanomaterials in air. As shown by thermal analysis, the process is based on thermal oxidative degradation of the organometallic complex, catalyzed by carbon nanomaterials, with oxidation (combustion) of the organic moiety and release of the metal into the condensed phase. The thermal process in an open system occurs in the glowing mode (210–250°С); the size of the nanoparticles formed is 7–30 nm. Under the conditions restricting the air access to the reaction mixture and free outflow of gaseous products formed by oxidation of acac ligands, the nanoparticle size decreases to 3–10 nm. The particle size depends on the metal amount in the initial powder mixture and on the support morphology.
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Публикация на русском языке
Декорирование порошков углеродных наноматериалов дисперсными частицами платиновых металлов [Текст] : статья / В. Г. Исакова [и др.] // Журн. прикл. химии. - 2018. - Т. 91 № 7. - С. 1040-1048
Держатели документа:
Russian Acad Sci, Kirenksy Inst Phys, Separate Dept, Fed Res Ctr,Krasnoyarsk Sci Ctr,Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Fed Res Ctr, Krasnoyarsk Sci Ctr, Siberian Branch, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Isakova, V. G.; Исакова, Виктория Гавриловна; Osipova, I. V.; Осипова, Ирина Владимировна; Dudnik, A. I.; Дудник, Александр Иванович; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Zharikova, N. V.; Nemtsev, I. V.; Volochaev, M. N.; Center for Shared Use of the Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences
}
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20.
DFT investigation of
the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures / A. S. Fedorov [et al.]> // Phys. Status Solidi B. - 2012. -
Vol. 249
,
Is. 12
. - P. 2549-2552,
DOI
10.1002/pssb.201200105. - Cited References: 32. - The work was supported by The Ministry of education and science of Russia, project 14.B37.21.0163. The authors express their gratitude to the Joint Supercomputer Center, Russian Academy of Sciences, Moscow and the supercomputer center of the Moscow State University (SKIF-MGU) for the possibility of using their computer clusters to perform all calculations. . - ISSN 0370-1972
РУБ
Physics, Condensed Matter
Рубрики:
WALLED CARBON
NANOTUBES
INITIO MOLECULAR-DYNAMICS
AB-INITIO
DEFECTS
STATE
MONOLAYER
POINTS
Кл.слова (ненормированные):
boron nitride
--
carbon silicide
--
elastic properties
--
graphene
--
magnetic properties
--
vacancies
Аннотация:
Influence of ordered monovacancies on elastic properties of graphene is theoretically investigated by density functional theory (DFT) calculations. Inverse linear dependence of the graphene Young's modulus on the concentration of vacancies has been revealed and migration rate of the vacancies has been calculated as a function of applied strain. It is shown that the migration rate can be controlled by applying various strains or temperatures. The influence of ordered monovacancies on magnetic properties of graphene as well as graphene-like hexagonal carbon silicide (2D-SiC) and the boron nitride (h-BN) structures is investigated. It is established that the presence of vacancies in all systems yields the appearance of local magnetic moment. However, in 2D-SiC structure the magnetic moment occurs only in the case of a Si vacancy. Influence of the distance between vacancies on the ferromagnetic or anti-ferromagnetic ordering for all structures is established. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Держатели документа:
[Fedorov, A. S.
Popov, Z. I.
Fedorov, D. A.] RAS, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Serjantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Popov, Z. I.; Попов, Захар Иванович; Fedorov, D. A.; Федоров, Дмитрий Александрович; Eliseeva, N. S.; Serjantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович
}
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