Multilayer cyclic C{sub 6} structures intercalated with metal atoms
- Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L 3G1 (Canada)
A new type of tubular inorganic metal-carbon sandwich molecule based on cyclic C{sub 6} is proposed. These consist of multiple layers of cyclic C{sub 6} 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.
- OSTI ID:
- 21537153
- Journal Information:
- Physical Review. A, Vol. 83, Issue 2; Other Information: DOI: 10.1103/PhysRevA.83.022507; (c) 2011 American Institute of Physics; ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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