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Edge-stress -induced spontaneous twisting of graphene nanoribbons

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Ramasubramaniam, A., Koskinen, P., Kit, O., & Shenoy, V. B. (2012). Edge-stress -induced spontaneous twisting of graphene nanoribbons. Journal of Applied Physics, 111 (5). doi:10.1063/1.3689814
Published in
Journal of Applied Physics
Authors
Ramasubramaniam, A. |
Koskinen, Pekka |
Kit, Oleg |
Shenoy, V.B.
Date
2012
Discipline
Fysiikka
Copyright
© 2012 American Institute of Physics. Published in this repository with the kind permission of the publisher.

 
We present a continuum model for spontaneous twisting of graphene nanoribbons driven by compressive edge stresses. Based on a geometrically nonlinear theory of plates, we identify scaling laws for the dependence of twist angles on ribbon width. Strikingly, we find the existence of a critical width below which a ribbon will not undergo spontaneous twisting, preferring an in-plane stretching mode instead. The model predictions are shown to be in excellent qualitative and quantitative agreement with density-functional tight-binding simulations. More generally, our model provides a unifying picture of twisting in graphene nanoribbons with different edge orientations and chemical functionalizations that have been reported recently in the literature.
Publisher
American Institute of Physics
ISSN Search the Publication Forum
0021-8979
Keywords
graphene nanoribbons electronic structure calculations
DOI
https://doi.org/10.1063/1.3689814
URI

http://urn.fi/URN:NBN:fi:jyu-201602011365

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