Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations

Effect of electric field

Erik C. Neyts, Adri Van Duin, Annemie Bogaerts

Research output: Contribution to journalArticle

62 Citations (Scopus)

Abstract

Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.

Original languageEnglish (US)
Pages (from-to)1256-1260
Number of pages5
JournalJournal of the American Chemical Society
Volume134
Issue number2
DOIs
StatePublished - Jan 18 2012

Fingerprint

Carbon Nanotubes
Carbon nanotubes
Electric fields
Plasma enhanced chemical vapor deposition
Plasmas
Growth
Chemical vapor deposition
Hot Temperature
Growth temperature
Single-walled carbon nanotubes (SWCN)
Molecular dynamics
Charge transfer
Carbon
Molecular Dynamics Simulation
Computer simulation
Temperature

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

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abstract = "Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.",
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Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : Effect of electric field. / Neyts, Erik C.; Van Duin, Adri; Bogaerts, Annemie.

In: Journal of the American Chemical Society, Vol. 134, No. 2, 18.01.2012, p. 1256-1260.

Research output: Contribution to journalArticle

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AU - Van Duin, Adri

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AB - Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.

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