期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 109, 期 21, 页码 10957-10961出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp050030u
关键词
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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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