Figure 2 | Scientific Reports

Figure 2

From: High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

Figure 2

The calculated activation energies (Ea) of lithium migration through BV-based method vs. the ones obtained by DFT method.

The data symbol with red, green and blue color represents the compounds in layered-, olivine- and spinel-structure, respectively. The orange symbol represents the borate and carbonate and the brown symbol displays the results for other types including phosphate, sulphate and various structures. The dash line is a linear fit for all the data here. The detailed information about the related compounds and the Ea values is listed in Table S1 of supplementary materials.

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