Carbon Nanoarch Encapsulating Fe Nanowire on Ni (111)

Details Carbon Nanoarch Encapsulating Fe Nanowire on Ni (111) Carbon Nanoarch Encapsulating Fe Nanowire on Ni (111)

2005-08-20

arxiv.org/abs/cond-mat/0508487v1

Physics

Condensed Matter

Materials Science

13 pages, 6 figures, submitted to Japanese Journal of Applied Physics 22 April 2005. submitted to Japanese Journal of Applied

Scientific paper

10.1143/JJAP.45.2869

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

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