Crystals of covalently bonded carbon nanotubes: Energetics and electronic structures
نویسندگان
چکیده
Structure and stability of hexagonally polymerized carbon nanotube solids are investigated using a generalized tight-binding molecular-dynamics scheme. The stable structures show internanotube connectivity via the 212 and 214 cycloaddition process. Calculated electronic density of states indicates that the studied materials have semiconducting or insulating properties depending on the type of internanotube connectivity in a system containing atoms with sp and sp bondings. We also predict the existence of a nanotube clathrate form.
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