The ionization energies and electron affinities of endohedral metallofullerenes MC82(M = Sc, Y, La): density functional calculations

Abstract

By means of density functional calculations, the ionization energies and electron affinities of ScC₈₂, YC₈₂ and LaC₈₂ are predicted and compared with those of typical empty fullerenes such as C₆₀ and C₇₀; endohedral metallofullerenes can be regarded as a sort of super atom.