Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111)
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(1...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | text |
| Published: |
Animo Repository
2005
|
| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/6775 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | De La Salle University |
| id |
oai:animorepository.dlsu.edu.ph:faculty_research-7624 |
|---|---|
| record_format |
eprints |
| spelling |
oai:animorepository.dlsu.edu.ph:faculty_research-76242022-09-15T00:39:07Z Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) David, Melanie Y. Kishi, Tomoya Kisaku, Masaniro Nakanishi, Hiroshi Kasai, Hideaki 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. 2005-01-01T08:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/6775 Faculty Research Work Animo Repository Nanotubes Nanostructured materials Iron Nickel Density functionals Physics |
| institution |
De La Salle University |
| building |
De La Salle University Library |
| continent |
Asia |
| country |
Philippines Philippines |
| content_provider |
De La Salle University Library |
| collection |
DLSU Institutional Repository |
| topic |
Nanotubes Nanostructured materials Iron Nickel Density functionals Physics |
| spellingShingle |
Nanotubes Nanostructured materials Iron Nickel Density functionals Physics David, Melanie Y. Kishi, Tomoya Kisaku, Masaniro Nakanishi, Hiroshi Kasai, Hideaki Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| description |
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. |
| format |
text |
| author |
David, Melanie Y. Kishi, Tomoya Kisaku, Masaniro Nakanishi, Hiroshi Kasai, Hideaki |
| author_facet |
David, Melanie Y. Kishi, Tomoya Kisaku, Masaniro Nakanishi, Hiroshi Kasai, Hideaki |
| author_sort |
David, Melanie Y. |
| title |
Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| title_short |
Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| title_full |
Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| title_fullStr |
Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| title_full_unstemmed |
Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) |
| title_sort |
stable structure and electronic properties of carbon nanoarch encapsulating fe nanowire on ni(111) |
| publisher |
Animo Repository |
| publishDate |
2005 |
| url |
https://animorepository.dlsu.edu.ph/faculty_research/6775 |
| _version_ |
1767196621909524480 |