Ab initio study of edge effect on relative motion of walls in carbon nanotubes

Interwall interaction energies of double-walled nanotubes with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected density functional theory. The magnitude of corrugation and the shape of...

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Veröffentlicht in:	The Journal of chemical physics 2013-01, Vol.138 (2), p.024703-024703
Hauptverfasser:	Popov, Andrey M, Lebedeva, Irina V, Knizhnik, Andrey A, Lozovik, Yurii E, Potapkin, Boris V
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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