STABILITY OF FULLERENE-BASED SYSTEMS

Abstract

Chemical modification of fullerenes such as the C60 molecule is a promising way to generate novel materials with tailored properties. Exohedral insertion of atoms in the interstitial sites of the C60 solid has created a new class of superconductors. Encapsulation of atoms in the fullerene cage is expected to lead to stable M@C60 endohedral complexes with a very interesting optical response. We study the stability of MxC60 solids and M@C60 molecules using a Born-Haber cycle. Our analysis not only provides the formations energies, but also elucidates the stability trends across the periodic table.