Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies
Loading...
Access rights
© 2004 American Physical Society (APS). This is the accepted version of the following article: Krasheninnikov, A. V. & Nordlund, K. & Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Nieminen, Risto M. 2004. Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies. Physical Review B. Volume 69, Issue 7. 073402/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.073402, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.073402.
URL
Journal Title
Journal ISSN
Volume Title
School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
2004
Major/Subject
Mcode
Degree programme
Language
en
Pages
073402/1-4
Series
Physical Review B, Volume 69, Issue 7
Abstract
We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon adatom on a flat graphene sheet inappropriate. Calculated migration energies for the adatoms agree well with the activation energies obtained from experiments on annealing of irradiation damage in single-walled nanotubes and attributed to single carbon interstitials.Description
Keywords
carbon nanotubes, carbon adatoms
Other note
Citation
Krasheninnikov, A. V. & Nordlund, K. & Lehtinen, P. O. & Foster, A. S. & Ayuela, A. & Nieminen, Risto M. 2004. Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies. Physical Review B. Volume 69, Issue 7. 073402/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.073402.