Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 109, Issue 21, Pages 10957-10961Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp050030u
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The structures and electronic properties of peanut-shaped dimers and carbon nanotubes constructed from C-60 molecules are investigated using ab initio self-consistent field molecular and crystal orbital methods based on the density-functional theory. The calculations show that the formation of peanut-shaped structures without octagonal carbon rings is energetically favorable. The obtained band structures indicate that the peanut-shaped nanotube can be a semiconductor or a metal.
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