MSE Researchers Publish Series Study on All-Solid-State Batteries

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Commercial lithium-ion batteries rely on flammable organic liquid electrolytes — a safety weak point behind several high-profile battery-fire incidents. Replacing them with non-flammable ceramic solid electrolytes could make all-solid-state Li-ion batteries intrinsically safer, with higher energy density, faster charging, and longer cycle life. A major obstacle, though, is the poorly understood, high resistance at the interfaces between solid components.

Using quantum mechanical modeling on UMD’s Deepthought2 supercomputer, Professor Yifei Mo’s group studied these elusive interfaces and proposed strategies to improve them, publishing a series of papers — one featured on the cover of the Journal of Materials Chemistry A — with collaborators including Chunsheng Wang and graduate students Yizhou Zhu, Fudong Han, and Xingfeng He.

Papers in the series:

  • “First Principles Study on Electrochemical and Chemical Stability of the Solid Electrolyte-Electrode Interfaces in All-Solid-State Li-ion Batteries,” Journal of Materials Chemistry A, 4, 3253-3266 (2016) — cover feature
  • “Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes,” Advanced Energy Materials, 6, 1501590 (2016)
  • “Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations,” ACS Applied Materials & Interfaces, 7, 23685-23693 (2015)

Read the full story at the UMD MSE news page.