Evaluation of Mg Compounds as Coating Materials in Mg Batteries

Chen, Tina; Ceder, Gerbrand; Sai Gautam, Gopalakrishnan; Canepa, Pieremanuele

doi:10.3389/fchem.2019.00024

Title: Evaluation of Mg Compounds as Coating Materials in Mg Batteries

Journal Article · 29 January 2019 · Frontiers in Chemistry

DOI: https://doi.org/10.3389/fchem.2019.00024 · OSTI ID:1492876

Chen, Tina; Ceder, Gerbrand; Sai Gautam, Gopalakrishnan; Canepa, Pieremanuele

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 making 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 mapped 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(BH₄)₂ as promising anode coating materials based on their significant reductive stability. On the cathode side, we single out MgF₂, Mg(PO₃)₂, and MgP₄O₁₁ as effective passivating agents.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1492876

Journal Information:: Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Vol. 7; ISSN 2296-2646

Publisher:: Frontiers Research FoundationCopyright Statement

Country of Publication:: Switzerland

Language:: English

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