Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective

Phys Chem Chem Phys. 2015 Sep 21;17(35):22548-51. doi: 10.1039/c5cp03046c. Epub 2015 Aug 18.

Abstract

We re-examine the electronic response of the Chevrel phase Mo6S8 upon Mg intercalation. The ground state Mo6S8 is metallic and exhibits strongly localized electronic screening of Mg(2+) ions. This localized screening cloud effectively shields the 2+ charge carried by Mg ions on the length scale of one unit cell and facilitates Mg ion diffusion.