Evaluation of Mg compounds as coating materials in Mg batteries

Abstract

Mg batteries utilizing a Mg metal anode with a high-voltage intercalation cathode define a potential pathway toward energy storage with high energy density. However, the realization of Mg batteries is plagued by the instability of existing electrolytes against the Mg-metal anode and high-voltage cathode materials. One viable solution to this problem is the identification of protective coating materials that could effectively separate the distinct chemistries of the metal-anode and the cathode materials from the electrolyte. Using first-principles calculations we map the electrochemical stability windows for non-redox-active Mg binary and ternary compounds in order to identify potential coating materials for Mg batteries. Our results identify Mg-halides and Mg(BH${}_4$)${}_2$ as promising anode coating materials based on their significant reductive stability. On the cathode side, we single out MgF${}_2$, Mg(PO${}_3$)${}_2$ and MgP${}_4$O${}_{1}1$ as effective passivating agents.

References in corpus (3)

• The intercalation phase diagram of Mg in V${}_2$O${}_5$ from first principles
• Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Non-Aqueous Electrolytes
• Influence of inversion on Mg mobility and electrochemistry in spinels

Cited by in corpus (1)

• Ionic Transport in Potential Coating Materials for Mg Batteries