Fig. 5: Sodium hopping frequencies in NASICON materials. | Nature Communications

Fig. 5: Sodium hopping frequencies in NASICON materials.

From: Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes

Fig. 5

Heatmap representation of the frequency (in Hz) of Na-ion migration from selected kMC simulation supercells (8×8×8 of the primitive cell, including 1024 migration units) at Na contents of x = 0.3, 2.4 and 2.97. The temperature in all panels is 573 K. Each colored hexagonal prism represents a migration unit, as exemplified in Fig. 1d. The hopping frequency of each migration unit is taken by averaging the probability of the six possible migrations of Na+ between the central Na(1) site and the six Na(2) sites in each unit. The top and bottom panels show views along the c-axis from above and below the supercells.

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