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000021148 084__ $$2WoS$$aChemistry, Physical
000021148 084__ $$2WoS$$aNanoscience & Nanotechnology
000021148 084__ $$2WoS$$aMaterials Science, Multidisciplinary
000021148 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000021148 1001_ $$0P:(DE-Juel1)VDB72885$$aVerberck, B.$$b0$$uFZJ
000021148 245__ $$aMonte Carlo Studies of C60 and C70-Peapods
000021148 260__ $$aLondon [u.a.]$$bTaylor & Francis$$c2012
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000021148 300__ $$a371-377
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000021148 440_0 $$019481$$aFullerenes Nanotubes and Carbon Nanostructures$$v20$$x1536-383X$$y4
000021148 500__ $$aHelpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl).
000021148 520__ $$aWe 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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000021148 65320 $$2Author$$aFullerenes
000021148 65320 $$2Author$$apeapods
000021148 65320 $$2Author$$aone-dimensional systems
000021148 65320 $$2Author$$aMonte Carlo simulations
000021148 65320 $$2Author$$adynamical properties
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000021148 7001_ $$0P:(DE-Juel1)VDB72888$$aCambedouzou, J.$$b1$$uFZJ
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000021148 7001_ $$0P:(DE-Juel1)VDB72889$$aLaunois, P.$$b4$$uFZJ
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