“…In the solid-state, C 60 molecules form a face centered cubic (FCC) molecular crystal, and solid-state C 60 finds use as components in photovoltaics, supercapacitors, photomasks, and lubricants . When intercalated with alkali and alkali earth ions, solid state C 60 is known to exhibit composition-dependent superconductivity, tunable optical properties, room temperature high ZT thermoelectricity, and notably, superionic conductivity. − However, the high ionic conductivity of lithium-doped crystalline C 60 is a point of contention and pertinent investigations have shown that electronic and mixed electronic–ionic contributions need to be considered as well. , Thus, despite past valuable experimental and simulation investigations, fundamental questions still remain on the extent of ionic conductivity and the underlying diffusive pathways that dictate ionic motion in C 60 solids . Unraveling such questions can shed further light on the utility of C 60 structures as potential components of alkali ion batteries, especially since there have been past efforts in integrating them both as electrode materials as well as interphase materials for ensuring the interfacial integrity of electrodes in lithium-ion batteries (LIB).…”