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All-solid-state lithium batteries using nonflammable solid electrolytes are widely recognized as promising candidates for next-generation energy storage because of their superior safety and fast-charging capability. However, widely studied oxide-based solid electrolytes contain heavy elements such as lanthanum and zirconium, resulting in high densities (e.g., 5.12 g/cm³) that limit improvements in overall battery gravimetric energy density.

To address this weight challenge, a joint research team led by Nichia Corporation and The University of Electro-Communications (UEC Tokyo) investigated a new solid electrolyte framework composed predominantly of light elements: RbLi(Li₃SiO₄)₂. With a low theoretical density of 2.74 g/cm³, this material adopts a monoclinic UCr₄C₄-type crystal structure featuring one-dimensional lithium channels.

Combining experimental synthesis with advanced computational simulations—including preferred potential molecular dynamics (PFP-MD) and density functional theory (DFT) calculations—the team uncovered key insights into its ion conduction mechanism:

Although the framework originates from one-dimensional channels along the b-axis, simulations revealed that these channels interconnect to form a three-dimensional lithium transport network. This structure prevents conduction bottlenecks caused by localized crystal defects.

30 eV. 26 eV).

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