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Author Tarakina, N.V.; Verberck, B.
Title Tubular fullerenes in carbon nanotubes Type A1 Journal article
Year (down) 2012 Publication Fullerenes, nanotubes, and carbon nanostructures Abbreviated Journal Fuller Nanotub Car N
Volume 20 Issue 4-7 Pages 538-542
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
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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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304297500045 Publication Date 2012-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited Open Access
Notes ; This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B. V. is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO-Vl). ; Approved Most recent IF: 1.35; 2012 IF: 0.764
Call Number UA @ lucian @ c:irua:99004 Serial 3737
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