Publication: Multilayer cyclic C6 structures intercalated with metal atoms

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Title Multilayer cyclic C6 structures intercalated with metal atoms
Authors/Editors* S. Kuzmin, W. W. Duley
Where published* Physical Review A
How published* Journal
Year* 2011
Volume A83
Number 022507
Pages 1-8
Publisher American Physical Society
Keywords carbon, cluster, intercalated, spectra
A new type of tubular inorganic metal-carbon sandwich molecule based on cyclic C6 is proposed. These consist of multiple layers of cyclic C6 with intercalated metal atoms. Structures and electronic properties of these molecules have been calculated using first-principles density functional techniques.We have evaluated all metals in the first six periods of the periodic table, except for the lanthanides, as possible components of such molecules. Our calculations show high bond energy and small energy gaps in many of these structures. We suggest that the high structural stability and high conductivity in these sandwich compounds make them very promising for use in nanoelectronic applications.
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