Publication
Title
Tubular fullerenes in carbon nanotubes
Author
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.
Language
English
Source (journal)
Fullerenes, nanotubes, and carbon nanostructures. - Place of publication unknown
Publication
Place of publication unknown : 2012
ISSN
1536-383X
Volume/pages
20:4-7(2012), p. 538-542
ISI
000304297500045
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.07.2012
Last edited 08.11.2017
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