Computer calculations of stability of C-70 fullerene intercalated by alkali metals

Authors
Fabianski, R Kuchta, B Firlej, L
Citation
R. Fabianski et al., Computer calculations of stability of C-70 fullerene intercalated by alkali metals, SYNTH METAL, 109(1-3), 2000, pp. 133-137
Citations number
9
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
109
Issue
1-3
Year of publication
2000
Pages
133 - 137
Database
ISI
SICI code
0379-6779(20000301)109:1-3<133:CCOSOC>2.0.ZU;2-J
Abstract
Calculations of the energy of alkali atoms placed in tetrahedral and octahe dral voids in the fee crystal lattice of C-70 are presented. A comparison o f 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 discuss ed. A path of diffusion of alkali atoms (ions) into C-70 structure has been proposed. (C) 2000 Elsevier Science S.A. All rights reserved.