2025 AIChE Annual Meeting

Development of High Entropy Single Crystal NCM622 Cathodes for Advanced Lithium-Ion Batteries

Lithium-Ion Batteries (LIB) are widely regarded for their high electrochemical performance in terms of voltage and discharge capacity, but commercial materials such as NCM-622 (Nickel 60% Cobalt 20% Manganese 20%) suffer from crystal structure degradation after 300-400 cycles. The scope of this research is to increase crystal structural integrity through the synthesis of high entropy single crystal cathodes based on NCM-622 material. High entropy refers to using 5 or more approximately equimolar elements to maximize the number of crystal configurations and therefore increasing thermodynamic stability. Similarly, single crystal cathodes revolve around high temperature (900°C+) calcination to fuse the seams of poly-crystal samples into controlled, uniform particles and prevent the perforation of the electrolyte. The effects of these modifications in tandem would allow for higher mechanical and thermal resistance up to 1000 cycles, thus alleviating the primary impediment behind NCM materials. Samples are ongoingly synthesized through semi-batch co-precipitation with ammonium oxalate then characterized through SEM, XRD, and electrochemical cycling. This approach will allow for the next generation of LIBs to be longer lasting and more durable under extreme conditions and workloads.