Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111)
College
College of Science
Department/Unit
Physics
Document Type
Article
Source Title
e-Journal of Surface Science and Nanotechnology
Volume
3
First Page
266
Last Page
269
Publication Date
2005
Abstract
We investigate the stable structures and magnetic properties of Fe-filled single-walled carbon nanotubes (SWNTs) on Ni(111) using first principle calculations. For the two different initial positions of Fe atom inside the nanotube, we find stable geometries and electronic states for the SWNT on Ni(111). When the Fe wire is near the Ni surface, SWNT transforms into arch-like structure. We propose the possibility that the C-C bonds of carbon nanotube are broken by Fe wire and Ni surface.
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Recommended Citation
David, M. Y., Kishi, T., Kisaku, M., Nakanishi, H., & Kasai, H. (2005). Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111). e-Journal of Surface Science and Nanotechnology, 3, 266-269. Retrieved from https://animorepository.dlsu.edu.ph/faculty_research/6775
Disciplines
Physics
Keywords
Nanotubes; Nanostructured materials; Iron; Nickel; Density functionals
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