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1.
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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2.
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
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Доп.точки доступа:
Korets, A. Y.; Titarenko, Y. N.
}
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3.
Contact-induced spin polarization
in graphene/h-BN/Ni nanocomposites / P. V. Avramov [et al.]> // J. Appl. Phys. - 2012. -
Vol. 112
,
Is. 11
. - Ст. 114303. - P. ,
DOI
10.1063/1.4767134. - Cited References: 47. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. The authors are grateful to the ICS SB RAS and SFU CC (Krasnoyarsk), ISC RAS and MSU CRC, (SKIF MSU "Chebyshev", Moscow) for computer resources. This work was partially supported by the RFBR grant 12-02-31417. . - ISSN 0021-8979
РУБ
Physics, Applied + Boron nitride + Electronic structure + Nanocomposites + Plates (structural components) + Spin polarization + Graphene
Рубрики:
HEXAGONAL BORON-NITRIDE
TRILAYER GRAPHENE
NI(111) SURFACE
GRAPHITE
APPROXIMATION
SPINTRONICS
DIFFRACTION
SIMULATION
SUBSTRATE
CARBON
Аннотация:
Atomic and electronic structure of graphene/Ni(111), h-BN/Ni(111) and graphene/h-BN/Ni(111) nanocomposites with different numbers of graphene and h-BN layers and in different mutual arrangements of graphene/Ni and h-BN/Ni at the interfaces was studied using LDA/PBC/PW technique. Using the same technique corresponding graphene, h-BN and graphene/h-BN structures without the Ni plate were calculated for the sake of comparison. It was suggested that C-top:C-fcc and N-top:B-fcc configurations are energetically favorable for the graphene/Ni and h-BN/Ni interfaces, respectively. The Ni plate was found to induce a significant degree of spin polarization in graphene and h-BN through exchange interactions of the electronic states located on different fragments. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4767134]
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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Ohtomo, Manabu
Entani, Shiro
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.
Kuzubov, A. A.
Eleseeva, Natalia S.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Sakai, Seiji; Ohtomo, Manabu; Entani, Shiro; Matsumoto, Yoshihiro; Naramoto, Hiroshi; Eleseeva, N. S.; Елисеева, Наталья Сергеевна
}
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4.
First-principles calculations of
the equations of state and relative stability of iron carbides at the Earth's core pressures / K. D. Litasov [et al.]> // Russ. Geol. Geophys. - 2015. -
Vol. 56
,
Is. 1-2
. - P. 164-171,
DOI
10.1016/j.rgg.2015.01.010. - Cited References:50. - The study was supported by the Russian Science Foundation (grant no. 14-17-00601) and a grant for young scientists from the President of the Russian Federation (MD-500.2013.5) under a project of the Ministry of Education and Science (no. 14.B25.31.0032). The work of S.G. Ovchinnikov and Z.I. Popov was also supported by the Leading Science School program (no. NSh-2886.2014.2). . - ISSN 1068. - ISSN 1878-030X. -
РУБ
Geosciences, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
Fe-C SYSTEM
AB-INITIO
OF-STATE
CARBON
MANTLE
Кл.слова (ненормированные):
iron carbide
--
Earth's core
--
first-principles calculations
--
density
--
bulk
--
modulus
--
magnetic moment
Аннотация:
Recent experimental studies have demonstrated that Fe3C is more stable than Fe7C3 under PT-conditions of the Earth's core. Theoretical calculations at 0 K, in turn, show the possible stability of Fe2C at the core pressures. Therefore, a theoretical modeling of iron carbides at <=500 GPa is carried out. Energetically stable phases and the pressures of magnetic transitions at 0 K are determined. The parameters of magnetic transitions for Fe7C3 and Fe3C are consistent with those determined in the previous papers. The phase transition from Pnnm to Pnma in Fe2C at 28 GPa is estimated. At > 100 GPa, Fe2C loses its magnetic moment. Assuming
carbon
to be the only light element in the system, the first-principles calculations yield 2.7-2.9 and 2.0-2.2 wt.% C at the boundary of the inner core at 5000 and 7000 K, respectively.
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Публикация на русском языке
Первопринципные расчеты уравнений состояния и относительной стабильности карбидов железа при давлениях ядра земли [Текст] / К. Д. Литасов [и др.] // Геол. и геофиз. - Новосибирск : Изд-во СО РАН, 2015. - Т. 56 № 1-2. - С. 214-223
Держатели документа:
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Доп.точки доступа:
Litasov, K. D.; Popov, Z. I.; Попов, Захар Иванович; Gavryushkin, P. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Fedorov, A. S.; Федоров, Александр Семенович; Russian Science Foundation [14-17-00601]; Russian Federation under Ministry of Education and Science [MD-500.2013.5, 14.B25.31.0032]; Leading Science School program [NSh-2886.2014.2]
}
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5.
Frolov, G. I.
Temperature effect on structural transformations in nanocrystalline cobalt films / G. I. Frolov, V. S. Zhigalov, V. K. Mal'tsev> // Phys. Solid State. - 2000. -
Vol. 42
,
Is. 2
. - P. 334-336,
DOI
10.1134/1.1131208. - Cited References: 11 . - ISSN 1063-7834
РУБ
Physics, Condensed Matter
Рубрики:
IRON FILMS
CARBON
Аннотация:
The effect of annealing temperature on the structure and magnetic properties of nanocrystalline cobalt films has been studied by nuclear magnetic resonance (NMR) and magnetometric (vibrational magnetometer) techniques. Interpretation of the experimental data demonstrates that the initial films have an amorphous-like structure due to the high degree of disordering in the intergranular regions and nanoparticles. This structure transforms into the equilibrium polycrystalline state through the formation of a number of intermediate phases. (C) 2000 MAIK "Nauka/ Interperiodica".
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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Доп.точки доступа:
Zhigalov, V. S.; Жигалов, Виктор Степанович; Mal'tsev, V. K.; Maltsev, V. K.; Фролов, Георгий Иванович
}
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6.
High-capacity electrode material
BC3 for lithium batteries proposed by ab initio simulations / A. A. Kuzubov [et al.]> // Phys. Rev. B. - 2012. -
Vol. 85
,
Is. 19
. - Ст. 195415,
DOI
10.1103/PhysRevB.85.195415. - Cited References: 22. - We thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Russia), the Joint Supercomputer Center of the Russian Academy of Sciences, the supercomputer center of the Institute of Space and Information Technologies of the Siberian Federal University, and the supercomputer center of the Moscow State University (SKIF-MGU) for providing an opportunity to use their computers for performing all calculations. The work was supported by Russian Foundation for Basic Research Grant No. 12-02-00640-a and federal program Grant No. 1.3.2, "Scientific and pedagogical specialists in innovation Russia 2009-2013." . - ISSN 1098-0121
РУБ
Physics, Condensed Matter
Рубрики:
TRANSITION
GRAPHITE
POINTS
CARBON
Аннотация:
The absorption energy and diffusion rates of lithium atoms inside graphitelike boron carbide (BC3) crystal are investigated by the ab initio pseudopotential density-functionalmethod using generalized gradient approximation. It is shown that lithium may effectively intercalate this structure with the maximum lithium concentration corresponding to Li2BC3 stoichiometry, which is threefold in comparison to lithium in graphite. The potential barrier values for lithium diffusion both at low and maximum concentration are about 0.19 eV, so lithium atoms inside the BC3 structure can move easily. These findings suggest that boron carbide looks like a good candidate as an anode material in lithium ion batteries.
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Держатели документа:
[Kuzubov, Alexander A.
Eliseeva, Natalya S.
Tomilin, Felix N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Fedorov, Aleksandr S.
Eliseeva, Natalya S.
Tomilin, Felix N.
Avramov, Pavel V.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Avramov, Pavel V.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Tomilin, F. N.; Томилин, Феликс Николаевич; Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.
}
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7.
Interaction of iron
carbide and sulfur under P–T conditions of the lithospheric mantle / Y. V. Bataleva [et al.]> // Dokl. Earth Sci. - 2015. -
Vol. 463
,
Is. 1
. - P. 707-711,
DOI
10.1134/S1028334X15070077. - This study was supported by the Russian Foundation for Basic Research (project no. 14-05-31061) and by the Council for Grants and Support of the Leading Scientific Schools of the President of the Russian Federation (NSh 2024.2014.5). . - ISSN 1028-334X
РУБ
Geosciences, Multidisciplinary
Рубрики:
MINERAL INCLUSIONS
DIAMOND
CARBON
EVOLUTION
CORES
Аннотация:
Experimental studies were performed in the Fe3C–S system at P = 6.3 GPa, T = 900–1600°C, and t = 18–20 h. The study aimed to characterize the conditions of iron carbide stability in a reduced lithospheric mantle and to reveal the possibility of the formation of elemental
carbon
by the interaction of iron carbide and sulfur. It was found that the reaction at T 1200°C proceeds with the formation of a pyrrhotite–graphite assemblage by the following scheme: 2Fe3C + 3S2 → 6FeS + 2C0. The crystallization of graphite at T 1200°C is accompanied by the generation of sulfide and metal–sulfide melts and via 2Fe3C + 3S2 → 6[Fe–S(melt) + Fe–S–C(melt)] + 2C(graphite)0 reaction. Resulting from the
carbon
-generating reactions, not only graphite crystallized in sulfide or metal–sulfide melts, but the growth of diamond also takes place. The obtained data allow one to consider cohenite as a potential source of
carbon
in the processes of diamond and graphite crystallization under the conditions of a reduced lithospheric mantle. The interaction of iron carbide and sulfur under which
carbon
extraction proceeds may be one of possible processes of the global
carbon
cycle. © 2015, Pleiades Publishing, Ltd
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Публикация на русском языке
Взаимодействие карбида железа и серы при P–T-параметрах литосферной мантии [Текст] / Ю. В. Баталева [и др.] // Докл. акад. наук : Наука, 2015. - Т. 463 № 2. - С. 192–196
Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Novosibirsk State University, Novosibirsk, Russian Federation
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Borzdov, Yu. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Sobolev, N. V.; Russian Foundation for Basic Research [14-05-31061]; Council for Grants and Support of the Leading Scientific Schools of the President of the Russian Federation [NSh 2024.2014.5]
}
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8.
Theoretical investigation of
the atomic and electronic structure of LixBC3 intercalated compounds / A. A. Kuzubov [et al.]> // J. Exp. Theor. Phys. - 2012. -
Vol. 114
,
Is. 6
. - P. 1018-1021,
DOI
10.1134/S1063776112040103. - Cited References: 23 . - ISSN 1063-7761
РУБ
Physics, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
BC3
TRANSITION
CARBON
Аннотация:
LixBC3 intercalated compounds with various configurations are studied for their possible application as electrode materials for lithium current sources. For this purpose, the band structure and the density of states were calculated for each structure, and energy stability and possible deformations due to a change in the unit cell volume during intercalation are investigated.
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Публикация на русском языке
Теоретическое исследование атомной и электронной структур интеркалированных соединений LixBC3 [Текст] / А. А. Кузубов [и др.] // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 6. - С. 1162-166
Держатели документа:
[Kuzubov, A. A.
Eliseeva, N. S.
Tomilin, F. N.
Lykhin, A. O.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Tomilin, F. N.
Fedorov, A. S.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Lykhin, A. O.
}
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9.
Unique Nanomechanical Properties
of Diamond-Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds / W. Baek [et al.]> // Nano Lett. - 2019. -
Vol. 19
,
Is. 3
. - P. 1570-1576,
DOI
10.1021/acs.nanolett.8b04421. - Cited References: 38. - The authors thank Dr. Valentin Afanasiev (Sobolev Institute of Geology and Mineralogy, Novosibirsk, Russia) for giving us access to a representative set of impact diamonds from Popigai astrobleme. The authors also acknowledge ID-15B beamline at the European Synchrotron Radiation Facility (ESRF) for providing measurement times and technical support. Dr. Valerio Cerantola (ESRF) is thanked for his kind support with the laser-heating setup. W.B., A.V.K., and P.V.A. acknowledge the National Research Foundation of Republic of Korea for support under grant no. NRF-2017R1A2B4001410. . - ISSN 1530-6984. - ISSN 1530-6992
РУБ
Chemistry, Multidisciplinary + Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
CARBON
PRESSURES
GRAPHITE
HARDNESS
ORIGIN
Кл.слова (ненормированные):
Impact diamonds
--
lonsdaleite
--
compressibility
--
high-pressure
--
diamond/lonsdailete biphases
Аннотация:
For the first time, lonsdaleite-rich impact diamonds from one of the largest Popigai impact crater (Northern Siberia) with a high concentration of structural defects are investigated under hydrostatic compression up to 25 GPa. It is found that, depending on the nature of a sample, the bulk modulus for lonsdaleite experimentally obtained by X-ray diffraction in diamond-anvil cells is systematically lower and equal to 93.3–100.5% of the average values of the bulk moduli of a diamond matrix. Density functional theory calculations reveal possible coexistence of a number of diamond/lonsdaleite and twin diamond biphases. Among the different mutual configurations, separate inclusions of one lonsdaleite (001) plane per four diamond (111) demonstrate the lowest energy per
carbon
atom, suggesting a favorable formation of single-layer lonsdaleite (001) fragments inserted in the diamond matrix. Calculated formation energies and experimental diamond (311) and lonsdaleite (331) powder X-ray diffraction patterns indicate that all biphases could be formed under high-temperature, high-pressure conditions. Following the equation of states, the bulk modulus of the diamond (111)/lonsdaleite (001) biphase is the largest one among all bulk moduli, including pristine diamond and lonsdaleite.
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Держатели документа:
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Greennano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Novosibirsk State Univ, Dept Phys, Pirogova Str 2, Novosibirsk 630090, Russia.
Nikolaev Inst Inorgan Chem SB RAS, Dept Crystal Chem, Lavrentiev Ave 3, Novosibirsk 630090, Russia.
Siberian Fed Univ, 79 Svobodniy Pr, Krasnoyarsk 660041, Russia.
ESRF European Synchrotron, 71 Ave Martyrs, F-38000 Grenoble, France.
Tomsk State Univ, 36 Lenin Prospekt, Tomsk 634050, Russia.
BAM Fed Inst Mat Res & Testing, Richard Willstatter Str 11, D-12489 Berlin, Germany.
Kirensky Inst Phys, Fed Res Ctr KSC SB RAS, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Baek, W.; Gromilov, S. A.; Kuklin, A. V.; Kovaleva, E. A.; Fedorov, A. S.; Федоров, Александр Семенович; Sukhikh, A. S.; Hanfland, M.; Pomogaev, V. A.; Melchakova, I. A.; Avramov, P. V.; Аврамов, Павел Вениаминович; Yusenko, K. V.
}
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