Lithium-Ion: Cathode

Towards A Better Understanding Of The Cathode Electrolyte Interphase CEI For Enhanced Stability MODEL CATHODE MATERIALS

ELECTROLYTES & ADDITIVES TO STABILIZE CEI

SIMULATING THE CEI

Model cathode materials are needed to establish a convincing baseline and isolate effects on the cathode. Suitable candidates include single crystal Ni-rich NMC and commercial polycrystalline NMC811.

Electrolyte components and their oxidative stability determine the composition of CEI. When the cathode is polarized, the inner Helmholtz plane is dominated by anions, suggesting that salt engineering may be helpful. Other solutions involve additives or more stable solvents.

Combining ab initio simulation techniques with machine learning will aid the understanding of complex results from advanced characterization techniques. A caveat of applying atomistic simulations is that the results and predictive power depend heavily on the accuracy and complexity of the underlying models.

Single crystal NMC76

Single crystal NMC811 with irregular morphology

“Full understanding of CEI formation and evolution at varied length and time scales, especially at high voltages, is still lacking in the battery community. Progress is urgently needed to better tune CEI properties at the atomic scale to further stabilize the electrochemical energy storage system.ˮ Source: Xiao, J., Adelstein, N., Bi, Y. et al. Assessing cathode–electrolyte interphases in batteries. Nat Energy 9, 14631473 2024.

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