Modelling of the adsorption of C60 on the Au(110) surface.

A simple approach based on (i) the glue model for gold, (ii) an empirical force field for C60 and (iii) the charge equilibration plus the Born-Mayer potential for their interaction shows that the two experimentally detected structures for C60 on Au(110) 6] are competitive from 100 K. The model further shows the different nature of the Au-Au and Au-C60 interactions inside the two unit cells, which makes one structure prevail over the other as a function of the experimental conditions. More specifically, the calyx-like structure of ref. [6] is favoured by metal-organic interactions, while the regular structure of ref. [5] is characterized by a remarkable stability of the Au surface. Poster ECSCD-8 18-21 July, 2004 (Segovia, Spain)