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Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures
Published on: July 2, 2012
Structures and electronic properties of peanut-shaped dimers and carbon nanotubes
Guo Wang1, Yuxue Li, Yuanhe Huang
1Department of Chemistry, Beijing Normal University, Beijing, 100875.
Abstract:
The structures and electronic properties of peanut-shaped dimers and carbon nanotubes constructed from C60 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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