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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Varganov S. A., Avramov P. V., Ovchinnikov S. G.
Заглавие : 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
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 2. - P388-392. - ISSN 1063-7834, DOI 10.1134/1.1131218
Примечания : Cited References: 16
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Sakai S., Entani S., Matsumoto Y., Naramoto, Hiroshi
Заглавие : Ab initio LC-DFT study of graphene, multilayer graphenes and graphite
Место публикации : Chem. Phys. Lett.: Elsevier Science BV, 2011. - Vol. 508, Is. 1-3. - P.86-89. - ISSN 0009-2614, DOI 10.1016/j.cplett.2011.04.016
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnik A. I., Osipova I. V., Nikolaev N. S., Churilov G. N.
Заглавие : Comparative analysis of two methods for synthesis of fullerenes at different helium pressures
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [18-32-20011]
Место публикации : Fuller. Nanotub. Carbon Nanostruct. - 2020. - Vol. 28, Is. 9. - P.697-701. - ISSN 1536-383X, DOI 10.1080/1536383X.2020.1746281. - ISSN 1536-4046(eISSN)
Примечания : Cited References: 16. - The reported study was funded by RFBR according to the research project No 18-32-20011
Предметные рубрики: PLASMA
YIELD
DISCHARGE
PARAMETERS
DEPENDENCE
C60
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Popov A. A., Vnukova N. G., Dudnik A. I., Samoylova N., Glushenko G. A.
Заглавие : Controlled synthesis of fullerenes and endohedral metallofullerenes in high frequency arc discharge
Место публикации : Fuller. Nanotub. Carbon Nanostruct.: Taylor and Francis, 2016. - Vol. 24, Is. 11. - P.675-678. - ISSN 1536383X (ISSN), DOI 10.1080/1536383X.2016.1207062
Примечания : 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).
Ключевые слова (''Своб.индексиров.''): 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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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) : Kuzubov A. A., Avramov P. V., Ovchinnikov S. G., Varganov S. A., Tomilin F. N.
Заглавие : Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2001. - Vol. 43, Is. 9. - P1794-1799. - ISSN 1063-7834, DOI 10.1134/1.1402242
Примечания : Cited References: 21
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vnukova N. G., Nikolaev N. S., Bartseva L. S., Kastiuk M. R., Elesina V. I., Isakova V. G., Churilov G. N.
Заглавие : Enrichment of a fullerene mixture with endohedral metallofullerenes: methodology and evaluation
Колич.характеристики :5 с
Место публикации : Fuller. Nanotub. Carbon Nanostructures. - 2024. - Article in press. - ISSN 1536383X (ISSN), DOI 10.1080/1536383X.2024.2338524. - ISSN 15364046 (eISSN)
Примечания : Cited References: 46
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Krasnov P. O., Milyutina Y. M.
Заглавие : Exited electronic states of porphyrin-fullerene dyads with different type of bonding
Коллективы : "Trends in Nanomechanics and Nanoengineering", workshop, Сибирский федеральный университет, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : 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
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A.
Заглавие : Expansion of endohedral fullerene formation statistical model
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : 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
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Popov A. A., Gulyaeva U. E., Samoylova N. A., Vnukova N. G., Kolonenko A. L., Isakova V. G., Dudnik A. I., Koravanets V. S.
Заглавие : Express analysis of endohedral fullerenes amount contained at fullerene mixture
Место публикации : Наносистемы: физ., хим., матем.: Санкт-Петербургский национальный исследовательский университет информационных технологий, механики и оптики, 2016. - Т. 7, № 1. - С.140-145. - ISSN 2220-8054, DOI 10.17586/2220-8054-2016-7-1-140-145; Nanosystems: phys., chem., mathem.
Примечания : 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).
Ключевые слова (''Своб.индексиров.''): 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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pol S. V., Pol V. G., Gedanken A., Frydman A., Churilov G. N.
Заглавие : Fabrication and magnetic properties of ni nanospheres encapsulated in a fullerene-like carbon
Место публикации : Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter: American Chemical Society, 2005. - Т. 109, № 19. - P.9495-9498. - ISSN 1520-6106, DOI 10.1021/jp050692j
Примечания : Библиогр.: 27
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhukov V. V., Erohin S. V., Churkin V. D., Vnukova N. G., Antipina L. Y., Elesina V. I., Visotin M. A., Tomashevich Y. V., Popov M. Y., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Feature of the endohedral metallofullerene Y@C82 and Gd@C82 polymerization under high pressure
Место публикации : J. Phys. Chem. C. - 2022. - Vol. 126, Is. 40. - P.17366-17373. - ISSN 19327447 (ISSN), DOI 10.1021/acs.jpcc.2c05139
Примечания : Cited References: 35. - The authors gratefully acknowledge the financial support of the RFBR (project identifier: 18-29-19080). V.D.C. acknowledges the support of the RFBR (project identifier: 20-32-90038). M.Y.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results and Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.V.Z., S.V.E., and P.B.S. acknowledge the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the strategic academic leadership program “Priority 2030” (no. K6-2022-041). The calculations were performed at the supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and the Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in performing calculations
Аннотация: In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C82) and yttrium atoms (Y@C82) at high pressures achieved using the shear diamond anvil cell technique is studied using both theoretical and experimental approaches. It is found that in contrast to pure fullerenes, EMF polymerization starts at lower pressures with similar behavior for both metals inside the fullerene cage. EMF polymerization occurs smoothly and finally leads to a significant increase in the number of interfullerene bonds at pressures higher than ∼20 GPa. Finally, a high bulk modulus of both EMF-polymerized materials is obtained using Raman spectra.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Fedorov A. S., Novikov P. V.
Заглавие : Fullerene C-60 formation in partially ionized carbon vapor
Разночтения заглавия :авие SCOPUS: Fullerene C60 formation in partially ionized carbon vapor
Место публикации : JETP Letters. - 2002. - Vol. 76, Is. 8. - P.522-526. - ISSN 0021-3640, DOI 10.1134/1.1533779
Примечания : Cited References: 15
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
CLUSTERS
GROWTH
Аннотация: The assembling rate of a fullerene C-60 molecule has been theoretically studied as a function of electron concentration and temperature in partially ionized carbon vapor. For C-60 formation via one or two intermediate stages of cluster collisions, it has been shown that there is a region of plasma parameters (the temperature and electron concentration) in which fullerene C-60 is formed more efficiently. The C-60 formation rate versus temperature and electron concentration relationships have been found to correlate with the trends in the collision cross-section of carbon clusters as functions of these parameters. (C) 2002 MAIK "Nauka/Interperiodica".
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Semenov A. P., Semenova I. A., Bulina N. V., Krylov A. S., Churilov G. N., Semenova A. A.
Заглавие : Fullerene films deposited by evaporation in vacuum using spot-focused annular electron beam
Место публикации : Tech. Phys. Lett.: AMER INST PHYSICS, 2005. - Vol. 31, Is. 12. - P1036-1038. - ISSN 1063-7850, DOI 10.1134/1.2150891
Примечания : Cited References: 9
Аннотация: A rapidly focused annular electron beam can provide for the effective evaporation of a fullerene mixture in a vacuum of similar to 10(-2) Pa. A 1-kW beam focused into a spot within 0.1-1 s produces explosive evaporation of a fullerene target at an extremely high efficiency of heating. A comparison of the Raman and electronic absorption spectra of the initial fullerene powder and a film deposited upon its evaporation shows that C-60 and C-70 fullerenes are evaporated without rupture of C-C covalent bonds. The electron beam evaporation in vacuum has been successfully used to obtain fullerene films on substrates with an area of similar to 0.1 m(2). (C) 2005 Pleiades Publishing, Inc.
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15.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Dudnik A. I., Osipova I. V., Novikov P. V., Churilov G. N.
Заглавие : Fullerene formation in plasma at different rates of temperature and electron concentration change
Коллективы : "Advanced carbon nanostructures", International conference, Физико-технический институт им. А.Ф. Иоффе РАН, Национальный исследовательский центр "Курчатовский институт", Санкт-Петербургский государственный технологический институт (технический университет)
Место публикации : 14th Int. Conf. "Adv. Carbon Nanostructures": Book of abstracts. - 2019. - Poster session 1: Fullerenes and Nanodiamond Particles. - Ст.P1-14. - P.81. - ISBN 978-5-93634-060-4
Примечания : Cited References: 6
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Novikov P.V., Churilov G. N., Martinez Yu. S.
Заглавие : Influence of buffer gas and vibration temperature of carbon clusters on fullerene formation in a carbon plasma
Место публикации : Journal of Nanoscience and Nanotechnology: American Scientific Publishers, 2007. - Т. 7, № 4-5. - С. 1315-1320. - ISSN 1533-4880, DOI 10.1166/jnn.2007.309. - ISSN 1533-4899(eissn)ID 17450893
ГРНТИ : 31
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Churilov G. N., Osipova I. V., Marchenko S. A., Gulyaeva U. E.
Заглавие : Influence of sonic and magnetic fields on fullerene and nanotube formation in carbon-helium plasma of high frequency at atmospheric pres?sure
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P5.7. - С. 114
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18.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Dudnik A. I., Bogdanova A.V.
Заглавие : Influence of Temperature and Humidity on Resistance and Permittivity of Composite Films of WO3 and B2O3 with Fullerene
Коллективы : International Conference and Seminar on Micro/Nanotechnologies and Electron Devices
Место публикации : 11th Annual International Conference and Seminar on Micro/Nanotechnologies and Electron Devices, EDM'2010: proceedings: IEEE, 2010. - С. 106-108. - (978-1-4244-6626-9). - DOI 10.1109/EDM.2010.5568647
Аннотация: The paper represents dependences of electrical resistance on irradiance and temperature for composite fullerene-WO3 films. It has been shown that the structure film-contacts is more sensitive to external influence when the film is placed between contacts. Dependencies of fullerene doped B2O3 films permittivity on temperature and humidity are given. Introduction of fullerenes results in approximately linear temperature dependence of permittivity
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Erohin S. V., Churkin V. D., Vnukova N. G., Visotin M. A., Kovaleva E. A., Zhukov V. V., Antipina L. Yu., Tomashevich Ye. V., Mikhlin U. L., Popov M. Yu., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer
Место публикации : Carbon. - 2022. - Vol. 189. - P.37-45. - ISSN 00086223 (ISSN), DOI 10.1016/j.carbon.2021.12.040
Примечания : Cited References: 39. - The authors gratefully acknowledge the financial support of RFBR (Project identifier:18-29-19080). The calculations were performed at supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in making calculations. M.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results as well as Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.D.C. acknowledges the support of RFBR (Project identifier:20-32-90038)
Аннотация: In this work, through the technology of producing endohedral metallofullerene in macroscopic quantities, the process of pressure polymerization of Sc2C2@C82 and their mechanical properties have been investigated in detail using a set of experimental and theoretical methods. The crucial role of endohedral atoms is demonstrated by comparison with pristine fullerenes. It is shown that the embedding of Sc2C2 complex inside a fullerene significantly facilitates the polymerization process which finally leads to the highly rigid material at high pressures.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Elesina V. I., Churilov G. N., Vnukova N. G., Nikolaev N. S., Glushenko G. A., Isakova V. G.
Заглавие : Mechanical activation of fullerene containing soot during extraction of higher and endohedral metallofullerenes
Место публикации : Fuller. Nanotub. Carbon Nanostruct. - 2022. - Vol. 30, Is. 5. - P.553-558. - ISSN 1536383X (ISSN), DOI 10.1080/1536383X.2021.1966421
Примечания : Cited References: 33
Аннотация: For extraction of higher fullerenes and endohedral metallofullerenes (EMF) with yttrium from fullerene-containing carbon soot (soot) obtained by combined spraying of graphite and yttrium oxide powders in an arc plasma, we developed a device (Extractor*) that provides mechanical activation effects on agents combined with filtration. It has been shown that the soot recovery percentage of a mixture of higher fullerenes and EMF with different solvents (carbon disulfide, o-xylene, pyridine) and the EMF mass fraction in the mixture is significantly higher than in the extraction with a Soxhlet apparatus traditionally used for these purposes. The time spent on the extraction process is reduced significantly. Due to a known reaction with titanium chloride (TiCl4) and removal of a solution of empty fullerenes, subsequent bonding of EMF with yttrium into an insoluble complex directly in the extractor allows the product to be significantly enriched with EMF. In general, we were able to significantly reduce both the duration of extraction of the fullerenes mixture and EMF and the production of EMF separately.
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