Fig. 8: Schematics of the band structure. | Nature Communications

Fig. 8: Schematics of the band structure.

From: Improving the oxygen redox reversibility of Li-rich battery cathode materials via Coulombic repulsive interactions strategy

Fig. 8: Schematics of the band structure.The alternative text for this image may have been generated using AI.

Mott–Hubbard splitting of the pristine Li1.2Mn0.6Ni0.2O2 (left) and Li1.2Mn0.6Ni0.2O2-δ (right) samples in the OCV state (a) and relithiation state after full delithiation (b). In the initial cycle, the U of Li1.2Mn0.6Ni0.2O2-δ is always smaller than that of the pristine sample, and there is a better reversible overlap between the filled LHB and O 2p nonbonding band in the Li1.2Mn0.6Ni0.2O2-δ sample. The crystal models show the irreversible Mn migration to the Li layer in the pristine sample when discharged to 2.0 V.

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