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Conduction in Carbon Nanotube Networks

Large-Scale Theoretical Simulations

  • Robert A.┬áBell
Book

Part of the Springer Theses book series (Springer Theses)

Table of contents

  1. Front Matter
    Pages i-xviii
  2. Robert A. Bell
    Pages 1-7
  3. Robert A. Bell
    Pages 39-61
  4. Robert A. Bell
    Pages 63-86
  5. Robert A. Bell
    Pages 147-150
  6. Back Matter
    Pages 151-166

About this book

Introduction

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.

Keywords

Conduction in carbon nanotube networks Conduction in carbon nanotube wires Electronic transport in ONETEP Electronic transport in carbon nanotubes First-principles electronic transport calculations Landauer-Buttiker formalism Large scale ab initio ballistic conduction calculations

Authors and affiliations

  • Robert A.┬áBell
    • 1
  1. 1.Theory of Condensed Matter Group, Cavendish LaboratoryUniversity of CambridgeCambridgeUnited Kingdom

Bibliographic information