Figure 5: Structural evolution of Li2MoO3 during the first charge. | Nature Communications

Figure 5: Structural evolution of Li2MoO3 during the first charge.

From: Tuning charge–discharge induced unit cell breathing in layer-structured cathode materials for lithium-ion batteries

Figure 5

(a) Schematics of Mo-O6 octahedral distortion before and after charge. (b) Schematics of lattice expansion and Mo ion migration during charge. (c) Schematics of molecular orbital levels around the Fermi level and their electron occupation in the Mo3O13 cluster. (HOMO is the highest occupied molecular orbital and LUMO is the lowest unoccupied molecular orbital. See more details in Supplementary Fig. 7).

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