Title
Tubular fullerenes in carbon nanotubes Tubular fullerenes in carbon nanotubes
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
,
Subject
Physics
Chemistry
Engineering sciences. Technology
Source (journal)
Fullerenes, nanotubes, and carbon nanostructures. - Place of publication unknown
Volume/pages
20(2012) :4-7 , p. 538-542
ISSN
1536-383X
ISI
000304297500045
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
We investigate the optimal orientations and positions of tubular fullerene molecules C-70, C-80 and C-90 encapsulated in single-walled carbon nanotubes (SWCNTs). We find that increasing the tube radius leads to the following succession of energetically stable regimes: 1) lying molecules positioned on the tube's long axis, 2) tilted molecules on the tube's long axis and 3) lying molecules shifted away from the tube's long axis. In the case of C-70 and C-80 molecules, standing on-axis configurations also occur. Our findings are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods.
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