Li-ion battery performance is inherently dependent on the capability of lithium ions to reversibly intercalate in the electrodes. One of the most promising candidates for the next generation of Li-ion battery cathode materials is the lithium-rich layered oxide (LRLO). It has an extraordinary high capacity of up to 300 mAh g-1 versus a practical capacity of ~150 mAh g-1 for the commercial classical layered oxide. Oxygen-redox reactions are believed to be responsible for the excess capacity. Nevertheless, the major issue of anionic redox is the irreversibility correlated with defects generation, which results in serious structure degradation and voltage decay during extended cycles. Stable lattice oxygen redox is the key enabler for achieving attainable high energy density in Li-rich layered oxide cathode materials for Li-ion batteries. However, the unique local structure response to oxygen redox in these materials, resulting in energy inefficiency and hysteresis, still remains elusive, preventing their potential applications. In this talk, I will showcase how to combine computation and experimental methods to investigate the factors that determine the reversible oxygen redox in these materials.

Oxygen redox activites in Li-rich layered oxides: Pushing the limit of intercalation

2019 Fall National Meeting

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