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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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Synthesis and investigation of boron-doped fullerene and scandium-containing fullerene / G. N. Churilov [et al.] // Tech. Phys. Lett. - 2003. - Vol. 29, Is. 2. - P. 168-170, DOI 10.1134/1.1558758. - Cited References: 7 . - ISSN 1063-7850

РУБ Physics, Applied

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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, NS Kurnakov Gen & Inorgan Chem Inst, Moscow, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Kurnakov Inst. of Gen./Inorg. Chem., Russian Academy of Sciences, Moscow, Russian Federation

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Alikhanyan, A. S.; Nikitin, M. I.; Glushchenko, G. A.; Глущенко, Гарий Анатольевич; Vnukova, N. G.; Внукова, Наталья Григорьевна; Bulina, N. V.; Булина, Наталья Васильевна; Emelina, A. L.
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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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    Synthesis, crystal structures, and properties of new acentric glaserite-related compounds Rb7Ag5–3xSc2+x(XO4)9 (X = Mo, W) / T. S. Spiridonova, S. F. Solodovnikov, M. S. Molokeev [et al.] // J. Solid State Chem. - 2022. - Vol. 305. - Ст. 122638, DOI 10.1016/j.jssc.2021.122638. - 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) . - ISSN 0022-4596
   Перевод заглавия: Синтез, кристаллическая структура и свойства новых ацентрических соединений Rb7Ag5–3xSc2+x(XO4)9 (X = Mo, W), родственных глазериту
Кл.слова (ненормированные):
Rubidium -- Silver -- Scandium -- Triple molybdate -- Triple tungstate -- Phase equilibria -- Synthesis -- Crystal structure -- Ionic conductivity
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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Держатели документа:
Baikal Institute of Nature Management, Siberian Branch, Russian Academy of Sciences, Sakh'yanova St. 6, Buryat Republic, Ulan-Ude, 670047, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Akad. Lavrentyev Ave. 3, Novosibirsk630090, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 bld.38, Krasnoyarsk, 660036, Russian Federation
Kemerovo State University, Krasnaya St., 6, Kemerovo, 650000, Russian Federation
Skolkovo Institute of Science and Technology, Moscow121205, Russian Federation

Доп.точки доступа:
Spiridonova, T. S.; Solodovnikov, S. F.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Solodovnikova, Z. A.; Savina, A. A.; Kadyrova, Y. M.; Sukhikh, A. S.; Kovtunets, E. V.; Khaikina, E. G.
}
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    Structural, thermal and electrical studies of thallium-scandium-hafnium(zirconium) molybdates / V. G. Grossman, M. S. Molokeev, J. G. Bazarova [et al.] // J. Solid State Chem. - 2022. - Vol. 307. - Ст. 122832, DOI 10.1016/j.jssc.2021.122832. - 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 . - ISSN 0022-4596. - ISSN 1095-726X
   Перевод заглавия: Структурные, термические и электрические исследования молибдатов таллия-скандия-гафния(циркония)

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
POSITIVE ELECTRODE MATERIAL
CRYSTAL-STRUCTURE
IONIC-CONDUCTIVITY
Кл.слова (ненормированные):
Synthesis -- Scandium -- Thallium -- Molybdates -- Impedance spectroscopy -- Conducting material
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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Держатели документа:
SB RAS, Baikal Inst Nat Management, Sakhyanovoy St 6, Ulan Ude 670047, Russia.
Acad Sci, Fed Res Ctr KSC, Kirensky Inst Phys, Siberian Branch, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Russian Acad Sci, Fed Sci Res Ctr Crystallog & Photon, Shubnikov Inst Crystallog, Moscow 119333, Russia.

Доп.точки доступа:
Grossman, Victoria G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Jibzema G.; Bazarov, Bair G.; Sorokin, Nikolay, I; Basic Project of BINM SB RAS [0273-2021-0008]; Government of the Russian Federation [075-15-2019-1886]
}
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