Irradiation-assisted substitution of carbon atoms with nitrogen and boron in single-walled carbon nanotubes

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Abstract

Doping of carbon nanotubes with boron and nitrogen should provide more control over the nanotube electronic structure. In addition to the chemical substitution and arc-discharge methods used nowadays, we suggest using ion irradiation as an alternative way to introduce B/N impurities into nanotubes. Making use of molecular dynamics with analytical potentials we simulate irradiation of single-walled nanotubes with B and N ions and show that up to 40% of the impinging ions can occupy directly the sp(2) positions in the nanotube atomic network. We further estimate the optimum ion energies for the direct substitution. As annealing should further increase the number of sp(2) impurities due to dopant atom migration and interaction with vacancies, irradiation-mediated doping of nanotubes is a promising way to control the nanotube electronic structure. (C) 2004 Elsevier B.V. All rights reserved.
Original languageEnglish
JournalNuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms
Volume228
Issue number1-4
Pages (from-to)31-36
Number of pages6
ISSN0168-583X
DOIs
Publication statusPublished - 2005
MoE publication typeA4 Article in conference proceedings
EventUnknown host publication - , Netherlands
Duration: 1 Jan 1800 → …

Fields of Science

  • 114 Physical sciences

Cite this

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title = "Irradiation-assisted substitution of carbon atoms with nitrogen and boron in single-walled carbon nanotubes",
abstract = "Doping of carbon nanotubes with boron and nitrogen should provide more control over the nanotube electronic structure. In addition to the chemical substitution and arc-discharge methods used nowadays, we suggest using ion irradiation as an alternative way to introduce B/N impurities into nanotubes. Making use of molecular dynamics with analytical potentials we simulate irradiation of single-walled nanotubes with B and N ions and show that up to 40{\%} of the impinging ions can occupy directly the sp(2) positions in the nanotube atomic network. We further estimate the optimum ion energies for the direct substitution. As annealing should further increase the number of sp(2) impurities due to dopant atom migration and interaction with vacancies, irradiation-mediated doping of nanotubes is a promising way to control the nanotube electronic structure. (C) 2004 Elsevier B.V. All rights reserved.",
keywords = "114 Physical sciences",
author = "Jani Kotakoski and Jens Pomoell and Krasheninnikov, {Arkady V.} and Kai Nordlund",
note = "Volume: 228 Host publication title: Seventh International Conference on Computer Simulation of Radiation Effects in Solids Proceeding volume:",
year = "2005",
doi = "10.1016/j.nimb.2004.10.018",
language = "English",
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journal = "Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
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TY - JOUR

T1 - Irradiation-assisted substitution of carbon atoms with nitrogen and boron in single-walled carbon nanotubes

AU - Kotakoski, Jani

AU - Pomoell, Jens

AU - Krasheninnikov, Arkady V.

AU - Nordlund, Kai

N1 - Volume: 228 Host publication title: Seventh International Conference on Computer Simulation of Radiation Effects in Solids Proceeding volume:

PY - 2005

Y1 - 2005

N2 - Doping of carbon nanotubes with boron and nitrogen should provide more control over the nanotube electronic structure. In addition to the chemical substitution and arc-discharge methods used nowadays, we suggest using ion irradiation as an alternative way to introduce B/N impurities into nanotubes. Making use of molecular dynamics with analytical potentials we simulate irradiation of single-walled nanotubes with B and N ions and show that up to 40% of the impinging ions can occupy directly the sp(2) positions in the nanotube atomic network. We further estimate the optimum ion energies for the direct substitution. As annealing should further increase the number of sp(2) impurities due to dopant atom migration and interaction with vacancies, irradiation-mediated doping of nanotubes is a promising way to control the nanotube electronic structure. (C) 2004 Elsevier B.V. All rights reserved.

AB - Doping of carbon nanotubes with boron and nitrogen should provide more control over the nanotube electronic structure. In addition to the chemical substitution and arc-discharge methods used nowadays, we suggest using ion irradiation as an alternative way to introduce B/N impurities into nanotubes. Making use of molecular dynamics with analytical potentials we simulate irradiation of single-walled nanotubes with B and N ions and show that up to 40% of the impinging ions can occupy directly the sp(2) positions in the nanotube atomic network. We further estimate the optimum ion energies for the direct substitution. As annealing should further increase the number of sp(2) impurities due to dopant atom migration and interaction with vacancies, irradiation-mediated doping of nanotubes is a promising way to control the nanotube electronic structure. (C) 2004 Elsevier B.V. All rights reserved.

KW - 114 Physical sciences

U2 - 10.1016/j.nimb.2004.10.018

DO - 10.1016/j.nimb.2004.10.018

M3 - Conference article

VL - 228

SP - 31

EP - 36

JO - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

IS - 1-4

ER -