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Computational studies of catalytic particles for carbon nanotube growth

Publication ,  Journal Article
Bolton, K; Ding, F; Börjesson, A; Zhu, W; Duan, H; Rosén, A; Harutyunyan, AR; Curtarolo, S
Published in: Journal of Computational and Theoretical Nanoscience
January 1, 2009

We review our computational studies of the melting temperatures and mechanisms of iron and iron-carbide clusters. Both isolated and supported clusters have been considered, and substrates with different shapes or pores have been simulated. It has been seen, for example, that the surface curvature-or local surface curvature-of the particle plays a dominant role in the melting mecha- nism and temperature. It has also been observed that the melting mechanism for small clusters is different to that of larger clusters. Copyright © 2009 American Scientific Publishers doi:10.1166/jctn.2009. 1001.

Duke Scholars

Published In

Journal of Computational and Theoretical Nanoscience

DOI

ISSN

1546-1955

Publication Date

January 1, 2009

Volume

6

Issue

1

Start / End Page

1 / 15

Related Subject Headings

  • Nanoscience & Nanotechnology
  • 1007 Nanotechnology
  • 0913 Mechanical Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Bolton, K., Ding, F., Börjesson, A., Zhu, W., Duan, H., Rosén, A., … Curtarolo, S. (2009). Computational studies of catalytic particles for carbon nanotube growth. Journal of Computational and Theoretical Nanoscience, 6(1), 1–15. https://doi.org/10.1166/jctn.2009.1001
Bolton, K., F. Ding, A. Börjesson, W. Zhu, H. Duan, A. Rosén, A. R. Harutyunyan, and S. Curtarolo. “Computational studies of catalytic particles for carbon nanotube growth.” Journal of Computational and Theoretical Nanoscience 6, no. 1 (January 1, 2009): 1–15. https://doi.org/10.1166/jctn.2009.1001.
Bolton K, Ding F, Börjesson A, Zhu W, Duan H, Rosén A, et al. Computational studies of catalytic particles for carbon nanotube growth. Journal of Computational and Theoretical Nanoscience. 2009 Jan 1;6(1):1–15.
Bolton, K., et al. “Computational studies of catalytic particles for carbon nanotube growth.” Journal of Computational and Theoretical Nanoscience, vol. 6, no. 1, Jan. 2009, pp. 1–15. Scopus, doi:10.1166/jctn.2009.1001.
Bolton K, Ding F, Börjesson A, Zhu W, Duan H, Rosén A, Harutyunyan AR, Curtarolo S. Computational studies of catalytic particles for carbon nanotube growth. Journal of Computational and Theoretical Nanoscience. 2009 Jan 1;6(1):1–15.

Published In

Journal of Computational and Theoretical Nanoscience

DOI

ISSN

1546-1955

Publication Date

January 1, 2009

Volume

6

Issue

1

Start / End Page

1 / 15

Related Subject Headings

  • Nanoscience & Nanotechnology
  • 1007 Nanotechnology
  • 0913 Mechanical Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics