Journal of Chemical Physics, Vol.116, No.8, 3396-3400, 2002
Continuum elastic model of fullerenes and the sphericity of the carbon onion shells
A continuum elastic model of fullerenes is presented by utilizing the analogy between the closed carbon cages and elastic shells. We derive expressions for the curvature related strain energies E-p of the pentagonal protrusions. We propose to explain the observed sphericity of the carbon onions shells as opposed to the predicted protrusions around the pentagonal defects on the basis of our continuum elastic model of fullerenes. In our model the energy inherent in the pentagonal protrusions E-p is due to the stretching and bending of the shell and shown to be a function of the structural parameters. It also defines the upper limit on the size of the free-standing fullerenes. Using E-p and the topological arguments, we show that the pentagonal protrusions will be smoothed out, resulting in spherical shells of the carbon onions denoted as C-60@C-240@C-540@C-960@C-1500,... .