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By Robert A. Bell

This thesis exploits the facility of the linear-scaling quantum mechanical code ONETEP to investigate structures containing many millions of atoms. through enforcing an electron delivery potential to the code, it additionally investigates a number phenomena linked to electric conduction through nanotubes and, particularly, the method of shipping electrons among tubes.
Extensive paintings has been performed at the conductivity of unmarried carbon nanotubes. even though, any sensible cord made from nanotubes will encompass a good number of tubes of finite size. The conductance of the ensuing twine is predicted to be restricted through the method of shifting electrons from one tube to another.These quantum mechanical calculations on very huge platforms have published a couple of wrong claims made formerly within the literature. Conduction techniques that experience by no means ahead of been studied at this point of idea also are investigated.

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