Electromechanical actuation of single-walled carbon nanotubes: an ab initio study

TitleElectromechanical actuation of single-walled carbon nanotubes: an ab initio study
Publication TypeJournal Article
Year of Publication2008
AuthorsMirfakhrai, T., R. Krishna-Prasad, A. Nojeh, and J. D. W. Madden
JournalNano Technology
Volume19
ISSN0957-4484
Abstract

The mechanical actuation of a (5, 5) single-walled carbon nanotube as a result of added charge is simulated using first-principles calculations. It is observed that while both positive and negative charging tend to expand the nanotube in the axial direction for most levels of charge, radial actuation is less even and symmetric with respect to charge. The spin distribution of the additional charges is investigated, and it is predicted that in some cases unpaired spin configurations are energetically favourable, significantly affecting actuation strains.

URLhttp://dx.doi.org/10.1088/0957-4484/19/31/315706
DOI10.1088/0957-4484/19/31/315706

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