By Robert A. Bell
This thesis exploits the facility of the linear-scaling quantum mechanical code ONETEP to investigate platforms containing many hundreds of thousands of atoms. through enforcing an electron shipping power to the code, it additionally investigates a number phenomena linked to electric conduction by means of 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 lifelike cord made up of nanotubes will encompass a number of tubes of finite size. The conductance of the ensuing twine is predicted to be restricted by means of the method of shifting electrons from one tube to another.These quantum mechanical calculations on very huge structures have published a couple of mistaken claims made formerly within the literature. Conduction procedures that experience by no means prior to been studied at this point of conception also are investigated.
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Extra info for Conduction in Carbon Nanotube Networks: Large-Scale Theoretical Simulations
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Conduction in Carbon Nanotube Networks: Large-Scale Theoretical Simulations by Robert A. Bell