International Journal of Hydrogen Energy, Vol.32, No.16, 3987-3989, 2007
Clustering of molecular hydrogen anion (H(3)(-)) on a Li(+) @ C(60) surface
The structures and binding energies of H(3)(-) anions clustering on a Li(+) @C(60) surface have been studied using MNDO method. The calculations indicate that the metallofullerene Li(+) @C(60), which has a high hydrogen capacity of 9wt% with a binding energy of 0.05eV/H(2), could be practical for hydrogen storage at reduced temperatures, when introducing H(3)(-) anions clustering on the surface. (c) 2007 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.