Crystal Shape of a Nickel Particle Related to Carbon Nanotube Growth

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概要

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• In order to investigate the relevance of the equilibrium crystal shape of a nickel particle during carbon nanotube growth, we have performed self-consistent pseudopotential density-functional calculations. The nickel particle's equilibrium shape is obtained from the Wuiff construction using the calculated surface energies. To understand the role of facets of the nickel particle, we investigate the adsorption and diffusion of the carbon atom on the nickel surfaces. The desorption energy of the carbon atom and the activation energy for carbon diffusion are found to be very different on different low-index facets, thus diffusion behaviors will also differ. It is found that the {111} and {110} facets are likely to be more reactive compared to the {100} facet. Therefore, the facets of the nickel particle will play an important role in carbon nanotube growth.

• 社団法人応用物理学会の論文
• 2002-10-15

著者

• Shin Y‐h

  Sejong Univ. Seoul Kor

• Ihm Jisoon

  School Of Physics Seoul National University

• Hong Suklyun

  Department Of Physics Sejong University:center For Nanotubes And Nanostructured Composites. Sungkyun

• SHIN Young-Han

  Department of Physics, Sejong University

• Shin Young-han

  Department Of Physics Sejong University:center For Nanotubes And Nanostructured Composites. Sungkyun

• Hong Suklyun

  Department of Physics and Institute of Fundamental Physics, Sejong University, Seoul 143-747, Korea

関連論文

• First-Principles Study of Atomic and Electronic Structure of Ba/Si(111)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
• Crystal Shape of a Nickel Particle Related to Carbon Nanotube Growth
• Structure of Pyrrole on Ge(100)
• Effect of Hydrogen on Carbon Diffusion on Ni(111)

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