Synthesis and characterization of mixed sodium and lithium fullerides for hydrogen storage

Wehereinreport onthe synthesis of mixed alkali cluster intercalated fullerides NaxLiy xC60 (y ¼ 12; x ¼ 1e6) by a two-steps mechanochemical reaction of fullerene with sodium and lithium. These compounds crystallize in the cubic lattice of C60 displaying a contracted lattice parameter with respect to the Na6C60 parent structure. The analysis of the hydrogen sorption behaviour shows a slight decrease in the dehydrogenation enthalpy for y ¼ 12 with respect to the sodium free member. Raman spectroscopy highlighted a partial elec tron transfer from alkali metals to C60, suggesting the presence of charged sodium/lithium clusters. Finally, we applied muon spectroscopy to understand the different hydrogenation mechanisms in NaxLi6 xC60 and NaxLi12 xC60 and explain their different performance.