First principles calculation of field emission from carbon nanotubes with nitrogen and boron doping

Abbas, S, El-Sheikh, S and Salem, N 2011, 'First principles calculation of field emission from carbon nanotubes with nitrogen and boron doping', Physica E: Low-Dimensional Systems and Nanostructures, vol. 44, no. 1, pp. 111-114.


Document type: Journal Article
Collection: Journal Articles

Title First principles calculation of field emission from carbon nanotubes with nitrogen and boron doping
Author(s) Abbas, S
El-Sheikh, S
Salem, N
Year 2011
Journal name Physica E: Low-Dimensional Systems and Nanostructures
Volume number 44
Issue number 1
Start page 111
End page 114
Total pages 4
Publisher Elsevier BV* North Holland
Abstract We investigate the field emission properties of nitrogenated and boronated carbon nanotubes using time-dependent density functional theory, where the wave function propagation is performed using the CrankNicholson algorithm. We extract the currentvoltage characteristics of the emitted electrons from nanotubes with different doping configurations. We found that boron doping alone either impedes, or slightly enhances, field emission. Nitrogen generally enhances the emission current, and the current is sensitive to the location of the nitrogen dopant in the nanotube. Doping with both nitrogen and boron will generally enhance emission, and the closer the nitrogen dopant is to the tip, the higher is the emitted current. The emitted charge cloud from nitrogen-doped carbon nanotubes, however, diffuse more than that from pristine ones, our simulations show the emergence of a branching structure from the charge cloud, which suggests that nitrogenated carbon nanotubes are less convenient for use in precision beam applications.
Subject Electronic and Magnetic Properties of Condensed Matter; Superconductivity
Condensed Matter Modelling and Density Functional Theory
Radiation and Matter
DOI - identifier 10.1016/j.physe.2011.07.013
Copyright notice © Elsevier B.V.
ISSN 1386-9477
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