MSE Researchers Discover New Materials, New Research Direction for High-energy Li-metal Batteries

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Lithium metal packs lithium atoms far more densely than conventional graphite anodes, making it the most attractive anode material for high-energy batteries — but its strongly reducing nature degrades most electrolytes over time, causing rapid capacity fade.

Professor Yifei Mo, with Ph.D. students Yizhou Zhu and Xingfeng He, ran quantum mechanical calculations across a large-scale materials database to screen for materials that stay stable against lithium metal. Unlike the oxides, sulfides, and halides typically used to protect lithium anodes, nitrides turned out to have a natural, thermodynamically intrinsic resistance to reduction by lithium.

“We discovered that nitrides exhibit unique thermodynamically intrinsic stability.” — Yifei Mo

The finding points to a new research direction: using nitride materials and nitrogen doping to stabilize lithium metal anodes, a step toward higher-energy rechargeable batteries for applications like long-range electric vehicles.

The work, “Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode,” is published in Advanced Science (DOI: 10.1002/advs.201600517).

Read the full story at the UMD MSE news page.