Superionic Conductivity in the Li4C60 Fulleride Polymer

We report on the extraordinary superionic conductivity in the fulleride polymer Li4C60 , a crystalline material with no disorder. 7Li , NMR, and dc/ac conductivity show uncorrelated ionic hopping across small energy barriers (ΔEa200meV ) and an ionic conductivity of 102S/cm at room temperature, higher than in “standard” ionic conductors. Ab initio calculations of the molecular structure find intrinsic unoccupied interstitial sites that can be filled by Li+ cations in stoichiometric Li4C60 even at low temperatures. The low energy required for the occupation of these sites allows a sizable Li+ diffusion above 130 K. The results suggest novel application of lithium intercalated fullerides as electrodes in Li ions batteries.

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