Abstract.
C60 molecules encapsulated in carbon nanotubes interact by van der Waals forces with the tube walls. The nanotube field leads to orientational confinement of the C60 molecules which depends on the nanotube radius. In small tubes with radius RT≤7 Å a fivefold symmetry axis of the molecule coincides with the tube axis, the center of mass of the molecule being located on the tube axis. The interaction between C60 molecules encapsulated in the nanotube is then described by a O2-rotor model on a one-dimensional (1-d) liquid chain with coupling between orientational and displacive degrees of freedom but no long-range order. This coupling leads to a temperature-dependent chain contraction. The structure factor of the 1-d liquid is derived. In tubes with larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of Ag modes of C60 in nanotubes measured by resonant Raman scattering.
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Michel, K., Verberck, B. & Nikolaev, A. Nanotube field and one-dimensional fluctuations of C60 molecules in carbon nanotubes. Eur. Phys. J. B 48, 113–124 (2005). https://doi.org/10.1140/epjb/e2005-00378-9
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DOI: https://doi.org/10.1140/epjb/e2005-00378-9