Toroidal and spherical fullerene-like molecules with only pentagonal and heptagonal faces

摘要

The stability of toroidal and spherical carbon cage structures, constructed from five- and seven-membered rings, was studied using tight binding, Tersoff and Brenner potential based methods. A special tiling is presented for the torus of minimal strain energy. In order to make comparison between the results of various calculations we defined the sigma (AB) square root average bond distance difference between the methods A and B. By addition of six-membered rings to the C-40 torus we obtained a toroidal C-60 carbon cage molecule. (C) 2001 John Wiley & Sons, Inc. [References: 17]