Conduction in Carbon Nanotube Networks : Large-Scale Theoretical Simulations /
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,...
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| Format: | Electronic eBook |
| Language: | English |
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Cham :
Springer International Publishing : Imprint: Springer,
2015.
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| Series: | Springer Theses, Recognizing Outstanding Ph.D. Research.
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| Subjects: | |
| Online Access: | Connect to this title online |
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.