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А. Ф. Савенко, М. А. Полищук, Д. В. Щур, С. Ю. Загинайченко, В. А. Боголепов, А. П. Помыткин, Е. А. Каменецкая
«Гидрофуллерит C60Н60»
141–160 (2013)

PACS numbers: 61.48.-c, 61.72.Bb, 64.75.Bc, 81.05.ub, 81.05.Zx, 88.30.R-

Fullerene is the fourth allotropic form of carbon. Its properties, as the bulk (8.25?1022 atoms H/cm3), mass (7.7 wt.% H) and electrochemical (2000 mА?h/g) capacities of fullerite, exceed many similar properties of metal hydrides and hydrocarbons. The problem solution of reversible hydrogenation of each carbon atom in the fullerene molecule skeleton will allow creating the hydrogen storage of capacity up to 7.7 wt.% H. In a given paper, the total hydrogen capacity of C60 fullerite is estimated; hydrofullerenes with different hydrogen content are experimentally fabricated; the optimal mode of C60 hydrogenation is determined, leading to the complete hydrogenation of the C60 fullerene. As found, the sequence of formation of hydrogenated fullerene molecule C60H60 in fullerite consists of dissolution of molecular hydrogen in the octahedral pores of f.c.c. lattice of fullerite, dissociation of molecules in the transition of hydrogen into the tetrahedral interstices, hydrogen atom interaction with a fullerene molecule. As shown, the process of hydrogen chemisorption by C60 molecule after the hydrogen concentration corresponding to C60H36 is limited by diffusion processes in fullerite. The analysis shows that the process of the second stage of chemisorption follows the model of imploding shell; a model of the H2 interaction with C60 fullerite is advanced; the mechanism for determining the degree of the C60 molecule hydrogenation is proposed.