Figure 1 | Scientific Reports

Figure 1

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

Figure 1

The isosurface of total potential energy E(Li).

(a) The isosurface of E(Li) at 1.08 eV and (b) the isosurface of E(Li) at 1.55 eV for Li2MnO3 obtained by BV-based force-field method. The connected channels display the calculated lithium migration paths in this structure. The MnO6 framework is indicated as stick model and the blue, green and orange bullets indicate Li at the 2c, 4 h and 2b site, respectively.

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