Fig. 4: Characterization of Li metal dendrite penetration in polycrystalline LLZO with ∑5(310) grain boundaries.
From: Atomic mechanism of lithium dendrite penetration in solid electrolytes
a Snapshots of the progression of dendrite penetration in polycrystalline LLZO at specific time intervals: 0, 0.1, 0.4, and 0.8 ns. Yellow and purple particles represent the Li metal and Zr atoms, respectively. b Distribution of lithium ions in polycrystalline LLZO during dendrite penetration. c Normalized potential distribution within polycrystalline LLZO at 0.8 ns. d Normalized potential curve on the white dashed line in (c). e Arrhenius plots of diffusion coefficients in Σ5(310) GB and bulk of LLZO, respectively. f Lithium ions trajectory densities from the MD simulations.
