Revisiting the Chevrel Phase: Impact of Dispersion Corrections on the Properties of Mo6S8 for Cathode Applications**

While the Mo6S8 chevrel phase is frequently used as cathode material in Mg-ion batteries, theoretical studies on this are comparatively scarce. The particular structure of phase, with rather loosely connected cluster entities, points to important role dispersion forces material. However, so far aspect has been completely neglected discussion for mono- and multivalent-ion batteries. In work we therefore have studied impact stability kinetics intercalation compounds. For purpose, a series charge carriers (Li, Na, K, Mg, Ca, Zn, Al) investigated. Interestingly, observed only slightly affect lattice spacing nevertheless having significant insertion voltage carrier mobility Moreover, upon varying their diffusion barriers scale linearly ion size, almost independent considered ions. This indicates unique geometry dominated mechanism phase. consequences these findings will be carefully discussed.