Title
Monte Carlo studies of <tex>$C_{60}$</tex>- and <tex>$C_{70}$</tex>-peapods Monte Carlo studies of <tex>$C_{60}$</tex>- and <tex>$C_{70}$</tex>-peapods
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. 371-377
ISSN
1536-383X
ISI
000304297500015
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature.
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