Nanostructured films from (C60)nSim clusters

We investigate the bonding of Si and C60 both theoretically (by ab initio calculations within the local density approximation to the density functional theory) and experimentally. Starting from the laser ablation of Si and C60 followed by a supersonic expansion, we first show that it is possible to obtain small stable (C60)nSim clusters (with n m). We then investigate the configuration of the clusters by means of extended X-ray absorption fine structure (EXAFS) measurements and show that Si binds to the pentagonal face of the fullerenes. According to our calculations, such a structure is predicted to be metastable. The calculated bond energy is higher than that of the typical van der Waals bond. It highlights the potential of the Si–C60 bond to synthesize nanostructured C60-based materials with high binding energy. # 2003 Elsevier B.V. All rights reserved