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Varganov, S. A.
Ab initio calculations of endo- and exohedral C-60 fullerene complexes with Li+ ion and the endohedral C-60 fullerene complex with Li-2 dimer / S. A. Varganov, P. V. Avramov, S. G. Ovchinnikov // Phys. Solid State. - 2000. - Vol. 42, Is. 2. - P. 388-392, DOI 10.1134/1.1131218. - Cited References: 16 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
ENERGIES
C60
Аннотация: The results of ab initio Hartree-Fock calculations of endo- and exohedral C-60 fullerene complexes with the Li+ ion and Li-2 dimer are presented. The coordination of the Li+ ion and the Li-2 dimer in the endohedral complexes and the coordination of Li+ ion in the exohedral complex of C-60 fullerene are determined by the geometry optimization using the 3-21G basis set. In the endohedral Li+C60 complex, the Li+ ion is displaced from the center of the C-60 cage to the centers of carbon hexa- and pentagons by 0.12 nm. In the Li-2 dimer encapsulated inside the C-60 cage, the distance between the lithium atoms is 0.02 nm longer than that in the free molecule. The calculated total and partial one-electron densities of states of C-60 fullerene are in good agreement with the experimental photoelectron and X-ray emission spectra. Analysis of one-electron density of states of the endohedral Li+@C-60 complex indicates an ionic bonding between the Li atoms and the C-60 fullerene. In the Li+C60 and Li+@C-60 complexes, there is a strong electrostatic interaction between the Li+ ion and the fullerene. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Siberian Aerosp Acad, Krasnoyarsk 660014, Russia
ИФ СО РАН

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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Ab initio LC-DFT study of graphene, multilayer graphenes and graphite / P. V. Avramov [et al.] // Chem. Phys. Lett. - 2011. - Vol. 508, Is. 1-3. - P. 86-89, DOI 10.1016/j.cplett.2011.04.016. - Cited References: 32. - 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. . - ISSN 0009-2614

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
DENSITY
   NANORIBBONS
   PERFORMANCE
   FUNCTIONALS
   FULLERENE
   COBALT
   FILMS
Аннотация: Atomic structure of graphene, bi-, tri-, tetralayer graphenes and graphite as well was studied using ab initio HSE, LDA and PBE DFT approaches in periodic boundary conditions. Based on comparison of theoretical results with experimental data the performance of the methods was estimated. It was found that long-range corrected HSE potential is the most reliable DFT approximation to reproduce the atomic structure of weakly bound multilayer graphenes and graphite as well. (C) 2011 Elsevier B. V. All rights reserved.

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Entani, Shiro
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Naka, Ibaraki 3191195, Japan
[Avramov, Pavel V.] LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
[Avramov, Pavel V.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Sakai, S.; Entani, S.; Matsumoto, Y.; Naramoto, Hiroshi
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Comparative analysis of two methods for synthesis of fullerenes at different helium pressures / A. I. Dudnik, I. V. Osipova, N. S. Nikolaev, G. N. Churilov // Fuller. Nanotub. Carbon Nanostruct. - 2020. - Vol. 28, Is. 9. - P. 697-701, DOI 10.1080/1536383X.2020.1746281. - Cited References: 16. - The reported study was funded by RFBR according to the research project No 18-32-20011 . - ISSN 1536-383X. - ISSN 1536-4046

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
PLASMA
   YIELD
   DISCHARGE
   PARAMETERS
   DEPENDENCE
   C60
Кл.слова (ненормированные):
Fullerene synthesis -- alternating current -- direct current
Аннотация: The results of the effect of helium pressure in the chamber on the amount and composition of the produced fullerenes (C60, C70, etc.) synthesized in the arc plasma with graphite electrodes are presented. The findings obtained when the arc is powered by a direct (DC) and alternating (AC) currents of low frequency were compared in the same chamber with the electrodes located at the same angle to each other. These two methods are drastically different. The complete conversion of graphite into fullerene soot in AC occurs, but a part of the graphite is converted into a cathode deposit that does not contain fullerenes in DC, the relative amount of which increases when decreasing the helium pressure in the chamber. The highest fullerene content in fullerene soot of 10.2 wt.% is produced at a pressure of 127.5 kPa in AC arc, but in DC arc, the highest content of fullerenes in fullerene soot of 8.3 wt.% is produced at a pressure of 33.3 kPa.

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Держатели документа:
RAS, SB, Fed Res Ctr KSC, Kirensky Inst Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Dudnik, A. I.; Дудник, Александр Иванович; Osipova, I. V.; Осипова, Ирина Владимировна; Nikolaev, N. S.; Николаев, Никита Сергеевич; Churilov, G. N.; Чурилов, Григорий Николаевич; RFBRRussian Foundation for Basic Research (RFBR) [18-32-20011]
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Controlled synthesis of fullerenes and endohedral metallofullerenes in high frequency arc discharge / G. Churilov [et al.] // Fuller. Nanotub. Carbon Nanostruct. - 2016. - Vol. 24, Is. 11. - P. 675-678, DOI 10.1080/1536383X.2016.1207062. - Cited References: 16. - The work is supported by the Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement № 14.613.21.0010, ID RFMEFI61314X0010). . - ISSN 1536-383X
Кл.слова (ненормированные):
Fullerene -- Endohedral metallofullerenes -- High frequency arc discharge -- Pressure -- Mass spectrum
Аннотация: The article presents the high-frequency arc discharge setup operating in helium atmosphere and applicable for the syntheses of carbon condensate with different dispersion and structure, along with fullerenes and endohedral metallofullerenes. It also highlights how the change of helium pressure in chamber can control the amount and composition of products in carbon condensate. The setup can be applied for the purposes of analysis, for instance in order to obtain information about the process of fullerenes and endohedral met-allofullerenes formation. Also, the fact that the yield of higher fullerenes is increasing with the pressure rise, whereas the yield of endohedral metallofullerenes is decreasing suggests different formation mechanisms. © 2016 Taylor & Francis Group, LLC.

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Держатели документа:
Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russian Federation
Leibniz Institute for Solid State and Materials Research, Dresden, Germany
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Popov, A. A.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Dudnik, A. I.; Дудник, Александр Иванович; Samoylova, N.; Glushenko, G. A.; Глущенко, Гарий Анатольевич
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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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Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms / A. A. Kuzubov [et al.] // Phys. Solid State. - 2001. - Vol. 43, Is. 9. - P. 1794-1799, DOI 10.1134/1.1402242. - Cited References: 21 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
VIBRATION-ROTATION BANDS
   INFRARED ROTATION
   C-60
   BUCKMINSTERFULLERENE
   ION
Аннотация: The electronic structures of all the possible isomers of endohedral and exohedral C(60) fullerene complexes with two lithium atoms are theoretically investigated. It is found that the electronic structures of these compounds are characterized by an impurity filled-level state determining the band gap. The location of the impurity state and, correspondingly, the band gap of the exohedral fullerene complexes depend on the coordination mode and the distance between the alkali metal ions. A similar dependence is observed for the total energy of the exohedral fullerene complex under investigation. (C) 2001 MAIK "Nauka/ Interperiodica".

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Держатели документа:
Krasnoyarsk State Tech Univ, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
ИХХТ СО РАН

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Varganov, S. A.; Tomilin, F. N.; Томилин, Феликс Николаевич
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Enrichment of a fullerene mixture with endohedral metallofullerenes: methodology and evaluation / N. G. Vnukova, N. S. Nikolaev, L. S. Bartseva [et al.] // Fuller. Nanotub. Carbon Nanostructures. - 2024, DOI 10.1080/1536383X.2024.2338524. - Cited References: 46 . - Article in press. - ISSN 1536-383X. - ISSN 1536-4046
Кл.слова (ненормированные):
endohedral metallofullerene -- enrichment -- Lewis acids -- high performance liquid chromatography -- numerical integration of the spectra
Аннотация: A fullerene mixture was enriched with endohedral metallofullerenes (EMF) using Lewis acid (TiCl4), which took 22 min, whereas the standard method requires about 8 h. An algorithm for assessing small-area chromatographic peaks has been proposed, which has improved the accuracy of determination. For example, the area of the C84 peak was 4.24% using the developed program, while the use of chromatograph software estimated the area of this peak to be 1.78%.

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Держатели документа:
Kirensky Institute of Physics, FSBSI "Federal Research Center "Krasnoyarsk Science Center SB RAS", Krasnoyarsk, Russia
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, Russia
Institute of Non-Ferrous Metals Department of Organic and Analytical Chemistry, Siberian Federal University, Krasnoyarsk, Russia

Доп.точки доступа:
Vnukova, N. G.; Внукова, Наталья Григорьевна; Nikolaev, N. S.; Николаев, Никита Сергеевич; Bartseva, L. S.; Барцева, Любовь Сергеевна; Kastiuk, M. R.; Кастюк, Мария Романовна; Elesina, V. I.; Елесина, Виктория Игоревна; Isakova, V. G.; Исакова, Виктория Гавриловна; Churilov, G. N.; Чурилов, Григорий Николаевич
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Krasnov, P. O.
Exited electronic states of porphyrin-fullerene dyads with different type of bonding / P. O. Krasnov, Y. M. Milyutina // Workshop "Trends in Nanomechanics and Nanoengineering" : book of abstracts / предс. сем. K. S. Aleksandrov ; зам. предс. сем.: G. S. Patrin, S. G. Ovchinnikov ; чл. лок. ком.: N. N. Kosyrev, A. S. Fedorov [et al]. - 2009. - P. 34

Материалы семинара

Доп.точки доступа:
Aleksandrov, K. S. \предс. сем.\; Александров, Кирилл Сергеевич; Patrin, G. S. \зам. предс. сем.\; Патрин, Геннадий Семёнович; Ovchinnikov, S. G. \зам. предс. сем.\; Овчинников, Сергей Геннадьевич; Kosyrev, N. N. \чл. лок. ком.\; Косырев, Николай Николаевич; Fedorov, A. S. \чл. лок. ком.\; Федоров, Александр Семенович; Milyutina, Y. M.; Краснов, Павел Олегович; "Trends in Nanomechanics and Nanoengineering", workshop(2009 ; Aug. ; 24-28 ; Krasnoyarsk); Сибирский федеральный университет; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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    Fedorov, A. S.
    Expansion of endohedral fullerene formation statistical model / A. S. Fedorov, M. A. Visotin // Third Asian school-conference on physics and technology of nanostructured materials (ASCO-NANOMAT 2015) : proceedings. - Vladivostok : Dalnauka, 2015. - Ст. V.22.09o. - P. . - ISBN 978-5-8044-1556-4
   Перевод заглавия: Особенности спектра стоячих спиновых волн в гранулированных и градиентных мультислойных пленках на основе кобальта

Материалы конференции

Доп.точки доступа:
Visotin, M. A.; Высотин, Максим Александрович; Федоров, Александр Семенович; Asian School-Conference on Physics and Technology of Nanostructured Materials(3 ; 2015 ; Aug. ; 19-26 ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(3 ; 2015 ; авг. ; 19-26 ; Владивосток)
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10.

Express analysis of endohedral fullerenes amount contained at fullerene mixture / G. N. Churilov [et al.] // Наносистемы: физ., хим., матем. - 2016. - Т. 7, № 1. - С. 140-145 ; Nanosystems: phys., chem., mathem., DOI 10.17586/2220-8054-2016-7-1-140-145. - Библиогр.: 7. - The work was supported by the Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement N 14.613.21.0010, ID RFMEFI61314X0010). . - ISSN 2220-8054
Кл.слова (ненормированные):
endohedral fullerene -- atom emission spectroscopy -- quantitative assessment
Аннотация: This paper describes the technique for rapid determination of endohedral metallofullerene (EMF) content in a fullerene mixture (FM). The methods of mass spectroscopy and atom emission element analysis underlay at the technique. By the method of mass spectroscopy, the type of EMF with atom-guest is registered and by the method of emission spectroscopy, the quantity of that element which is contained in the FM is determined. The technique may be used for rapid determination of EMF weight percents in the FM in the specific case if only one type of EMF is present, and of EMF average content if there are different types of EMF are present. The technique is demonstrated through the example of analysis of FM with Y, which was extracted from the carbon condensate (CC) by different solvents (C5H5N and CS2).

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Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Popov, A. A.; Gulyaeva, U. E.; Гуляева, Ульяна Евгеньевна; Samoylova, N. A.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Kolonenko, A. L.; Колоненко, Андрей Леонидович; Isakova, V. G.; Исакова, Виктория Гавриловна; Dudnik, A. I.; Дудник, Александр Иванович; Koravanets, V. S.

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