TY  - JOUR
AU  - Verberck, B.
AU  - Cambedouzou, J.
AU  - Vliegenthart, G.A.
AU  - Gompper, G.
AU  - Launois, P.
TI  - Monte Carlo Studies of C60 and C70-Peapods
JO  - Fullerenes, nanotubes & carbon nanostructures
VL  - 20
IS  - 4-7
SN  - 1536-383X
CY  - London [u.a.]
PB  - Taylor & Francis
M1  - PreJuSER-21148
SP  - 371-377
PY  - 2012
N1  - Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl).
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000304297500015
DO  - DOI:10.1080/1536383X.2012.655190
UR  - https://juser.fz-juelich.de/record/21148
ER  -