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.
@article{arxiv.cond-mat/0508487,
title = {Carbon Nanoarch Encapsulating Fe Nanowire on Ni (111)},
author = {Melanie David and Tomoya Kishi and Masanori Kisaku and Hiroshi Nakanishi and Hideaki Kasai},
journal= {arXiv preprint arXiv:cond-mat/0508487},
year = {2009}
}
Comments
13 pages, 6 figures, submitted to Japanese Journal of Applied Physics 22 April 2005. submitted to Japanese Journal of Applied Physics 22 April 2005