Carbon nanoarch encapsulating Fe nanowire on NI(111)

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Japanese Journal of Applied Physics

Volume

45

Issue

4A

First Page

2869

Last Page

2871

Publication Date

2006

Abstract

We investigate the stable structures of single-walled carbon nanotubes (SWNTs) on Ni(111) and when a SWNT is filled with Fe wire on Ni(111), based on density functional theory. We find stable geometries and electronic states for the nanotube on Ni(111). We propose the possibility that the C–C bonds of a carbon nanotube are broken by an Fe wire and a Ni surface. That is, when an Fe-filled SWNT (3,3) adsorbs on Ni(111) surface, the SWNT transforms into an arch-like structure.

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Disciplines

Physics

Keywords

Carbon nanotubes; Nanowires; Nanostructured materials; Nickel; Density functionals

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