Conduction in Carbon Nanotube Networks
Large-Scale Theoretical Simulations
Seiten
2016
|
1. Softcover reprint of the original 1st ed. 2015
Springer International Publishing (Verlag)
978-3-319-38706-2 (ISBN)
Springer International Publishing (Verlag)
978-3-319-38706-2 (ISBN)
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, any realistic wire made of nanotubes will consist of a large number of tubes of finite length. The conductance of the resulting wire is expected to be limited by the process of transferring electrons from one tube to another.These quantum mechanical calculations on very large systems have revealed a number of incorrect claims made previously in the literature. Conduction processes that have never before been studied at this level of theory are also investigated.
Extensive work has been done on the conductivity of single carbon nanotubes. However, any realistic wire made of nanotubes will consist of a large number of tubes of finite length. The conductance of the resulting wire is expected to be limited by the process of transferring electrons from one tube to another.These quantum mechanical calculations on very large systems have revealed a number of incorrect claims made previously in the literature. Conduction processes that have never before been studied at this level of theory are also investigated.
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.
| Erscheinungsdatum | 21.10.2016 |
|---|---|
| Reihe/Serie | Springer Theses |
| Zusatzinfo | XVIII, 166 p. 63 illus., 29 illus. in color. |
| Verlagsort | Cham |
| Sprache | englisch |
| Maße | 155 x 235 mm |
| Themenwelt | Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik |
| Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik | |
| Naturwissenschaften ► Physik / Astronomie ► Quantenphysik | |
| Technik | |
| Schlagworte | Conduction in carbon nanotube networks • Conduction in carbon nanotube wires • Electronic transport in carbon nanotubes • Electronic transport in ONETEP • First-principles electronic transport calculations • Landauer-Buttiker formalism • Large scale ab initio ballistic conduction calcula • Large scale ab initio ballistic conduction calculations • nanoscale science and technology • nanotechnology • Physics • Physics and Astronomy • Quantum Physics • Quantum physics (quantum mechanics and quantum fie |
| ISBN-10 | 3-319-38706-5 / 3319387065 |
| ISBN-13 | 978-3-319-38706-2 / 9783319387062 |
| Zustand | Neuware |
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