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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Tomilin F. N., Fedorov A. S., Tolstaya A. V.
Заглавие : Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 87, Is. 8. - P.1332-1335. - ISSN 0036-0244, DOI 10.1134/S0036024413080141
Примечания : Cited References: 25
Предметные рубрики: AB-INITIO
THIN-FILMS
NANOTUBES
ENERGY
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krasnov P. O., Eliseeva N. S., Kuzubov A. A.
Заглавие : Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 1. - P.80-84. - ISSN 1063-7761, DOI 10.1134/S1063776111160059. - ISSN 1090-6509
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernozatonskii L. A., Sorokin P. B., Yakobson B. I.
Заглавие : New boron barrelenes and tubulenes
Место публикации : JETP Letters. - 2008. - Vol. 87, Is. 9. - P.489-493. - ISSN 0021-3640, DOI 10.1134/S0021364008090087
Примечания : Cited References: 21
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Isakova V. G., Osipova I. V., Dudnik A. I., Cherepakhin A. V., Zharikova N. V., Nemtsev I. V., Volochaev M. N.
Заглавие : Decoration of carbon nanomaterial powders with dispersed platinum metal particles
Коллективы : Center for Shared Use of the Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences
Место публикации : Russ. J. Appl. Chem. - 2018. - Vol. 91, Is. 7. - P.1209-1216. - ISSN 1070-4272, DOI 10.1134/S1070427218070212. - ISSN 1608-3296(eISSN)
Примечания : 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.
Предметные рубрики: NANOPARTICLES
PALLADIUM
FULLERENE
ELECTRODE
NANOTUBES
OXIDATION
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Potylitsyna, Arina R., Mishakov, Ilya, V, Bauman, Yury, I, Kibis, Lidia S., Shubin, Yury, V, Volochaev M. N., Melgunov, Maxim S., Vedyagin, Aleksey A.
Заглавие : Metal dusting as a key route to produce functionalized carbon nanofibers
Коллективы : Ministry of Science and Higher Education of the Russian Federation [AAAA-A21-121011390054-1, 0239-2021-0010, 121031700315-2]
Место публикации : React. Kinet. Mech. Catal. - 2022. - Vol. 135, Is. 3. - P.1387-1404. - ISSN 1878-5190, DOI 10.1007/s11144-022-02169-y. - ISSN 1878-5204(eISSN)
Примечания : 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)
Предметные рубрики: CHLORINATED HYDROCARBONS
NI-CU
DECOMPOSITION
NANOTUBES
CATALYST
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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