Modeling of Magnesium Intercalation into Chevrel Phase Mo ₆ S ₈ : Report on Improved Cell Design

A good understanding of the limiting processes in rechargeable magnesium batteries is key to develop novel high-capacity/high-voltage cathode materials. Thereby, performance magnesium-ion can strongly depend on morphology intercalation cathode. Moreover, high mass loadings are essential for commercialization. In this work influence different studied addition impact particle size distribution active material. Therefore, a detailed continuum model developed, which able describe complex into Chevrel phase (CP) The considers thermodynamics, kinetics and interplay two energetically sites Mo6S8, results from its unique crystal structure, as well desolvation electrochemical reactions possible ion agglomeration. Ideal combinations loading electrolyte concentration desired CP determined state-of-the-art tetrakis(hexafluoroisopropyloxy)borate Mg[B(hfip)4]2 electrolyte.