期刊
INORGANIC MATERIALS
卷 43, 期 4, 页码 349-357出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0020168507040048
关键词
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Density functional fight-binding calculations are used to investigate the structure, electronic properties, energy stability, and thermal behavior (0-1500 K) of extended monolithic (nanowires) and hollow (nanotubes) diamond-like carbon nanostructures. The results indicate that diamond-like nanowires and nanotubes may be both metallic and semiconducting, depending on their morphology and size. A new type of hybrid (sp(3) + sp(2)) nanostructure is identified, which has the form of a monlithic diamond-like (sp(3)) wire inside a graphite-like (sp(2)) shell. Diamond-like nanowires are shown to be more stable than nanotubes of comparable size.
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