Computer calculations of stability of C70 fullerene intercalated by alkali metals
Source abstract
Abstract
Abstract Calculations of the energy of alkali atoms placed in tetrahedral and octahedral voids in the fcc crystal lattice of C 70 are presented. A comparison of stabilities of intercalated C 60 and C 70 has been done. An existence of the off-centre positions in the octahedral voids has been shown and discussed. A path of diffusion of alkali atoms (ions) into C 70 structure has been proposed.
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Research context
OpenAlex topics: Fullerene Chemistry and Applications · Graphene research and applications · Boron and Carbon Nanomaterials Research
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References (9)
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