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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) : Churilov G. N., Alikhanyan A. S., Nikitin M. I., Glushchenko G. A., Vnukova N. G., Bulina N. V., Emelina A. L.
Заглавие : Synthesis and investigation of boron-doped fullerene and scandium-containing fullerene
Место публикации : Tech. Phys. Lett.: AMER INST PHYSICS, 2003. - Vol. 29, Is. 2. - P168-170. - ISSN 1063-7850, DOI 10.1134/1.1558758
Примечания : Cited References: 7
Аннотация: We report on the plasmachemical synthesis of fullerene derivatives containing boron and scandium. The synthesis was conducted at atmospheric pressure in a carbon-helium plasma jet generated by an RF arc. (C) 2003 MAIK "Nauka / Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Krasnov P. O., Kozhevnikov T. A., Popov M. A.
Заглавие : Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes
Коллективы : Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
Место публикации : Russ. J. Phys. Chem. B. - 2009. - Vol. 3, Is. 4. - P.679-683. - ISSN 1990-7931, DOI 10.1134/S1990793109040289
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Spiridonova T. S., Solodovnikov S. F., Molokeev M. S., Solodovnikova Z. A., Savina A. A., Kadyrova Y. M., Sukhikh A. S., Kovtunets E. V., Khaikina E. G.
Заглавие : Synthesis, crystal structures, and properties of new acentric glaserite-related compounds Rb7Ag5–3xSc2+x(XO4)9 (X = Mo, W)
Место публикации : J. Solid State Chem. - 2022. - Vol. 305. - Ст.122638. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2021.122638
Примечания : Cited References: 71. - This research was supported by the Ministry of Science and Higher Education of the Russian Federation , projects No. 0273-2021-0008 (Baikal Institute of Nature Management, SB RAS), and No. 121031700313-8 (Nikolaev Institute of Inorganic Chemistry, SB RAS), as well as partial financial support from the Russian Foundation for Basic Research (project No. № 20-03-00533)
Аннотация: The subsolidus phase equilibria in the system Ag2MoO4–Rb2MoO4–Sc2(MoO4)3 were studied and two new triple molybdates, Rb9Ag3Sc2(MoO4)9 and Rb7Ag5Sc2(MoO4)9, were found. The structures of Rb7Ag5Sc2(MoO4)9 and isostructural Rb7Ag5Sc2(WO4)9 of the Cs7Na5Yb2(MoO4)9 type (the space group R32) were determined. The found composition of the triple tungstate crystal, Rb7Ag4.61Sc2.13(WO4)9, indicates a non-stoichiometric compound formula, Rb7Ag5–3xSc2+x(WO4)9. Both structures have one incompletely occupied Ag site, and structure Rb7Ag4.61Sc2.13(WO4)9 also contains two positions with mixed Ag and Sc. Both compounds contain ‘lanterns’ [M2(XO4)9] (M = (Sc, Ag), Sc; X = Mo, W), which are strengthened by three AgO2 dumbbells to give isolated building blocks [Ag3M2(XO4)9] forming two-story hexagonal layers resembling the structure of glaserite K3Na(SO4)2. Similar layers of [Ag3Sc2(WO4)9]9− building blocks were also found by us in the structure of Rb9–xAg3+xSc2(WO4)9, which is close to that of Rb9Ag3Sc2(MoO4)9. Similar layers of the [M2(TO4)9] units were also observed in Cs7Na5Yb2(MoO4)9 and Na13Sr2Ta2(PO4)9. The title compounds belong to the series of rhombohedral triple molybdates and tungstates with a ≈ 9–10 Å and large c-periods (more than 20 Å), which have layered or open 3D framework structures. Like many compounds of this series, Rb7Ag5Sc2(XO4)9 (Х = W, Mo) at elevated temperatures have significant ionic conductivity reaching values 6.1·10−3 S cm−1 at 703 K (X = Mo) and 1.4·10−3 S cm−1 at 733 K (X = W) with Еа = 0.7 eV and 0.6 eV, respectively.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman V. G., Molokeev M. S., Bazarova J. G., Bazarov B. G., Sorokin N. I.
Заглавие : Structural, thermal and electrical studies of thallium-scandium-hafnium(zirconium) molybdates
Коллективы : Basic Project of BINM SB RAS [0273-2021-0008]; Government of the Russian Federation [075-15-2019-1886]
Место публикации : J. Solid State Chem. - 2022. - Vol. 307. - Ст.122832. - ISSN 0022-4596, DOI 10.1016/j.jssc.2021.122832. - ISSN 1095-726X(eISSN)
Примечания : Cited References: 56. - The work was supported by Basic Project of BINM SB RAS N degrees 0273-2021-0008. Research was conducted using equipment of the CCU BINM SB RAS. Structural analysis of materials in this study was partly sup-ported by the Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation
Предметные рубрики: POSITIVE ELECTRODE MATERIAL
CRYSTAL-STRUCTURE
IONIC-CONDUCTIVITY
Аннотация: Thallium scandium hafnium molybdate Tl5ScHf(MoO4)6 and thallium scandium zirconium molybdate Tl5ScZr(MoO4)6 crystallize in trigonal symmetry with the space group . The compounds are synthesized by sintering the finely powdered simple molybdates mixture in a muffle furnace at 723–823 K for 100 h. The crystal structures of Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 are obtained by Rietveld method. The following unit cell parameters are calculated for Tl5ScHf(MoO4)6: a = 10.62338 (5), c = 38.0579 (2) Å, V = 3719.64 (4) Å3, Z = 6 and for Tl5ScZr(MoO4)6: a = 10.63216 (7), c = 38.0716 (3) Å, V = 3727.14 (5) Å3, Z = 6. The conductivity of the Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 are measured between 293 and 860 K. The ionic conductivity of Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 molybdates are 8 × 10−4 S/cm and 8 × 10−3 S/cm (at 773 K); the activation energy of ionic transfer are 0.8 eV and 0.3 eV respectively.
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