This thesis exploits the ability of the linear-scaling quantum mechanical code ONETEP to analyze systems containing many thousands of atoms. By implementing an electron transport capability to the code, it also investigates a range of phenomena associated with electrical conduction by nanotubes and, in particular, the process of transport electrons between tubes.
Extensive work has been done on the conductivity of single carbon nanotubes. However,...
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Engineering Science Science & Math Science & Scientists Science & Technology Technology