Edge states in horseshoe-shape carbon nanotubes transformed by hydrogen adsorption
- Authors
- Lee, Kyu Won; Lee, Cheol Eui
- Issue Date
- 14-6월-2013
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.87, no.23
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 87
- Number
- 23
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/102969
- DOI
- 10.1103/PhysRevB.87.235119
- ISSN
- 1098-0121
- Abstract
- have investigated hydrogenated single-wall armchair (n,n) carbon nanotubes (CNTs) with 4 <= n <= 12 by using density functional theory calculations. Hydrogen adsorption may transform the CNTs into a horseshoe shape. Nonmagnetic edge-localized electron states have been identified in CNTs of horseshoe shape in this work. The sigma-bond-like orbital overlaps across the edge-localized electrons, which sustain the horseshoe shape of the CNTs and hinder spontaneous unravelling into a graphene nanoribbon, cause the horseshoe-shape CNTs to become nonmagnetic metal. The bonding energy between the hydrogenated edges increases with the CNT diameter, approaching a limit of similar to 1 eV.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - College of Science > Department of Physics > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.