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

Tawfik, SA; El-Sheikh, SM; Salem, NM

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

Tawfik, SA

El-Sheikh, SM Salem, NM

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Publication Type:: Journal Article
Citation:: Physica E: Low-Dimensional Systems and Nanostructures, 2011, 44 (1), pp. 111 - 114
Issue Date:: 2011-10-01

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Field	Value	Language
dc.contributor.author	Tawfik, SA https://orcid.org/0000-0003-3592-1419	en_US
dc.contributor.author	El-Sheikh, SM	en_US
dc.contributor.author	Salem, NM	en_US
dc.date.issued	2011-10-01	en_US
dc.identifier.citation	Physica E: Low-Dimensional Systems and Nanostructures, 2011, 44 (1), pp. 111 - 114	en_US
dc.identifier.issn	1386-9477	en_US
dc.identifier.uri	http://hdl.handle.net/10453/116502
dc.description.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. © 2011 Elsevier B.V. All rights reserved.	en_US
dc.relation.ispartof	Physica E: Low-Dimensional Systems and Nanostructures	en_US
dc.relation.isbasedon	10.1016/j.physe.2011.07.013	en_US
dc.subject.classification	Applied Physics	en_US
dc.title	First principles calculation of field emission from carbon nanotubes with nitrogen and boron doping	en_US
dc.type	Journal Article
utslib.citation.volume	1	en_US
utslib.citation.volume	44	en_US
utslib.for	0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics	en_US
utslib.for	0912 Materials Engineering	en_US
utslib.for	1007 Nanotechnology	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
utslib.copyright.status	closed_access
pubs.issue	1	en_US
pubs.publication-status	Published	en_US
pubs.volume	44	en_US

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. © 2011 Elsevier B.V. All rights reserved.

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http://hdl.handle.net/10453/116502