Carbon nanoarch encapsulating Fe nanowire on NI(111)

Carbon nanoarch encapsulating Fe nanowire on NI(111)

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...

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Bibliographic Details
Main Authors: David, Melanie Y., Kishi, Tomoya, Kisaku, Masanori, Nakanishi, Hiroshi, Kasai, Hideaki
Format: text
Published: Animo Repository 2006
Subjects:
Carbon nanotubes
Nanowires
Nanostructured materials
Nickel
Density functionals
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/6773
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Institution: De La Salle University
Description
Summary: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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