Electrochemically Stable Coating Materials for Li, Na, and Mg Metal Anodes in Durable High Energy Batteries

Snydacker, David H.; Hegde, Vinay I.; Wolverton, C.

doi:10.1149/2.0371714jes

Title: Electrochemically Stable Coating Materials for Li, Na, and Mg Metal Anodes in Durable High Energy Batteries

Journal Article · 18 November 2017 · Journal of the Electrochemical Society

DOI: https://doi.org/10.1149/2.0371714jes · OSTI ID:1470186

Snydacker, David H. ^[1]; Hegde, Vinay I. ^[1]; Wolverton, C. ^[1]

Northwestern Univ., Evanston, IL (United States)

Anodes made of Li, Na, or Mg metal present a rare opportunity to double the energy density of rechargeable batteries. However, these metals are highly reactive with many electrolytes and yield electronically conductive phases that allow continued electrochemical reduction of the electrolyte. This reactivity degrades cell performance over time and poses a safety risk. Surface coatings on metal anodes can limit reactivity with electrolytes and improve durability. In this paper, we screen the Open Quantum Materials Database (OQMD) to identify coatings that exhibit chemical equilibrium with the anode metals and are electronic insulators. We rank the coatings according to their electronic bandgap. We identify 92 coatings for Li anodes, 118 for Na anodes, and 97 for Mg anodes. Only two compounds that are commonly studied as Li solid electrolytes pass our screens: Li₃N and Li₇La₃Hf₂O₁₂. Many of the coatings that we identify are new to the battery literature. We suggest further study of these coatings to validate their performance in cells.

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Research Organization:: Energy Frontier Research Centers (EFRC), Washington, D.C. (United States). Center for Electrical Energy Storage (CEES); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

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

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1470186

Journal Information:: Journal of the Electrochemical Society, Vol. 164, Issue 14; Related Information: CEES partners with Argonne National Laboratory (lead); University of Illinois, Urbana-Champaign; Northwest University; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 22 works

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