Retention of lithium atoms by A@C20 (A = Li, Na and K) metallofullerenes: Possible anodes for batteries?

We have investigated the electronic properties of lithium, sodium, and potassium doped endohedrally on C20 fullerenes, through DFT calculations. The Dipolar moment, averaged binding energies, cohesion energy, |HOMO-LUMO| energy gap...