Conduction in Carbon Nanotube Networks Large-Scale Theoretical Simulations /

• Main Author: Bell, Robert A. (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Physics.; Quantum physics.; Nanoscale science.; Nanoscience.; Nanostructures.; Nanotechnology.; Nanoscale Science and Technology.; Quantum Physics.

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,...

Table of Contents:

• Introduction
• The Structural and Electronic Properties of Carbon Nanotubes
• Mesoscopic Current and Ballistic Conductance.- First-Principles Methods
• First-Principles Electronic Transport
• Momentum-Resonant Tunnelling Between Carbon Nanotubes
• First-Principles Conductance Between Carbon Nanotubes
• Charge Doping in Water-Adsorbed Carbon Nanotubes
• Conclusions.