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Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2013. - Vol. 87, Is. 8. - P. 1332-1335, DOI 10.1134/S0036024413080141. - Cited References: 25 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
AB-INITIO
   THIN-FILMS
   NANOTUBES
   ENERGY
Кл.слова (ненормированные):
silicon carbide monolayer -- density functional theory
Аннотация: The geometrical characteristics of a 2D SiC monolayer on Mg(0001) and MgO(111) plates regarded as potential materials for growing two-dimensional silicon carbide were studied. The most favorable positions of the atoms of 2D SiC on the substrates were determined. In the 2D SiC/Mg(0001) system, unlike in 2D SiC/MgO(111), the deviation of the carbon atom from the silicon carbide monolayer was insignificant (0.08 ). Consequently, magnesium can be used as a substrate for growing two-dimensional silicon carbide. The use of MgO(111) is not recommended because of a significant distortion of the 2D SiC surface.

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Публикация на русском языке Возможность образования монослоя 2D SIC на подложках Mg(0001) и MgO(111). - [S. l. : s. n.]

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk, Russia
Siberian State Univ Technol, Krasnoyarsk, 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; Tolstaya, A. V.
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Krasnov, P. O.
Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   NANOTUBES
   TRANSITION
   ENERGY
   TEMPERATURE
   EXCHANGE
   DYNAMICS
   METALS
   C60
Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
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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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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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Metal dusting as a key route to produce functionalized carbon nanofibers / A. R. Potylitsyna, I. V. Mishakov, Y. I. Bauman [et al.] // React. Kinet. Mech. Catal. - 2022. - Vol. 135, Is. 3. - P. 1387-1404, DOI 10.1007/s11144-022-02169-y. - Cited References: 65. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation (Project numbers AAAA-A21-121011390054-1 (ID: 0239-2021-0010) and 121031700315-2) . - ISSN 1878-5190. - ISSN 1878-5204

РУБ Chemistry, Physical
Рубрики:
CHLORINATED HYDROCARBONS
   NI-CU
   DECOMPOSITION
   NANOTUBES
   CATALYST
Кл.слова (ненормированные):
Metal dusting -- Ternary nickel-molybdenum-tungsten alloy -- Trichloroethylene -- Acetonitrile -- Functionalized carbon nanofibers
Аннотация: The present paper reports a new method of producing N-doped carbon nanofibers via metal dusting of a ternary NiMoW alloy in the atmosphere containing C2HCl3 and CH3CN vapors at 600 °C. The initial alloy was prepared by a co-precipitation technique. The carbon deposition was monitored gravimetrically. The early stages of the metal dusting process were studied in detail using scanning and transmission electron microscopies. It was established that the rapid disintegration of the microdispersed NiMoW alloy with the formation of nanosized particles catalyzing the growth of carbon filaments occurs within the first 5 min of the reaction. The presence of C2HCl3 vapors in the reaction medium was shown to be the urgent condition to provide efficient metal dusting. The effect of the CH3CN concentration in the trichloroethylene-containing reaction mixture on the carbon deposition is investigated. As observed, the CH3CN content noticeable affects the carbon yield (after 2 h of reaction). The dome-shaped dependence of carbon yield reaches its maximal value of ~ 200 g/g(cat) at a CH3CN concentration of 33 vol%. According to X-ray photoelectron spectroscopy, the obtained carbon filaments are functionalized with Cl (0.1–1.2 wt%), O (3–6 wt%), and N (0.5–1.3 wt%). The prepared carbon filaments possess a segmented secondary structure, which is typical for carbon nanomaterials derived via catalytic decomposition of chlorine-substituted hydrocarbons. Low-temperature nitrogen adsorption measurement revealed that the specific surface area of the N-containing samples varies in a range from 370 to 550 m2/g.

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Держатели документа:
Boreskov Inst Catalysis, Pr Ac Lavrentieva 5, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Str Pirogova 2, Novosibirsk 630090, Russia.
Nikolaev Inst Inorgan Chem, Ac Lavrentieva 3, Novosibirsk 630090, Russia.
Kirensky Inst Phys, Akad Gorodok 50-38, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Potylitsyna, Arina R.; Mishakov, Ilya, V; Bauman, Yury, I; Kibis, Lidia S.; Shubin, Yury, V; Volochaev, M. N.; Волочаев, Михаил Николаевич; Melgunov, Maxim S.; Vedyagin, Aleksey A.; Ministry of Science and Higher Education of the Russian Federation [AAAA-A21-121011390054-1, 0239-2021-0010, 121031700315-2]
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