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Feature of the endohedral metallofullerene Y@C82 and Gd@C82 polymerization under high pressure / V. V. Zhukov, S. V. Erohin, V. D. Churkin [et al.] // J. Phys. Chem. C. - 2022. - Vol. 126, Is. 40. - P. 17366-17373, DOI 10.1021/acs.jpcc.2c05139. - 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 . - ISSN 1932-7447
Кл.слова (ненормированные):
Fullerenes -- Diamond anvil cell technique -- Endohedral metallofullerenes -- Experimental approaches -- Fullerene cages -- Gadolinia -- High bulk modulus -- High pressure -- Low pressures -- Polymerized material -- Theoretical approach -- Polymerization
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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Держатели документа:
Technological Institute for Superhard and Novel Carbon Materials, Troitsk, Moscow, 108840, Russian Federation
National University of Science and Technology MISiS, Moscow, 119049, Russian Federation
Moscow Institute of Physics and Technology, Dolgoprudniy, Moscow, 141701, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, 119334, Russian Federation
Institute of Chemistry and Chemical Technology, The Siberian Branch of the RAS, Federal Research Center KSC Siberian Branch Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Zhukov, V. V.; Erohin, S. V.; Churkin, V. D.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Antipina, L. Y.; Elesina, V. I.; Елесина, Виктория Игоревна; Visotin, M. A.; Высотин, Максим Александрович; Tomashevich, Y. V.; Popov, M. Y.; Churilov, G. N.; Чурилов, Григорий Николаевич; Sorokin, P. B.; Fedorov, A. S.; Федоров, Александр Семенович
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