Skip to main content

Modeling the Effect of Dispersed Doping Agents in Carbon Nanotubes

Buy Article:

$113.00 plus tax (Refund Policy)

Theoretical studies of how the electronic properties of a nanotube are affected by one isolated doping agent is commonly done by ab-initio electronic structure calculations. Although these calculations are essential to understand how the system responds to doping, they are by no means sufficient, since, in reality, a large disordered array of doping agents must be considered. It is then necessary to combine ab-initio techniques with less-computationally-demanding methods if one wishes to describe the real effect of doping on the electronic properties of nanotubes. Here we propose a method that makes use of ab-initio results for single impurities as an input to generate the parameters of the less-demanding tight-binding technique. The method is based on suitable sum rules for the Green functions of the impurity-free nanotubes and does not rely on any fitting scheme. The resulting parametrization allows us to describe disordered systems without losing the important contributions due to charge transfer and screening. Transport properties are subsequentially investigated.
No Reference information available - sign in for access.
No Citation information available - sign in for access.
No Supplementary Data.
No Data/Media
No Metrics


Document Type: Research Article

Publication date: 2007-10-01

More about this publication?
  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
  • Editorial Board
  • Information for Authors
  • Subscribe to this Title
  • Terms & Conditions
  • Ingenta Connect is not responsible for the content or availability of external websites
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more