About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Energy Technology 2027: Advancement in Energy Materials - Theory, Simulation, Characterization and Application
|
| Presentation Title |
Electrochemical Performance of Polycrystalline Cathode Particles with Intergranular Cracking and Rock-Salt Surface Layers |
| Author(s) |
Cesar Metlich, James G. Boyd, Dimitris C. Lagoudas |
| On-Site Speaker (Planned) |
Cesar Metlich |
| Abstract Scope |
Intergranular cracking and the formation of a rock-salt phase at particle surfaces are two mechanisms that significantly influence the electrochemical performance of nickel-rich battery cathode particles. This study uses an electro-chemo-mechanical model to investigate lithium nickel manganese cobalt oxide (NMC) cathode particles with rock-salt surface layers and evolving intergranular cracks. The model integrates electrolyte-phase ionic transport, electrochemical reaction kinetics, solid-state lithium diffusion, anisotropic diffusion-induced deformation, and intergranular cracking within a polycrystalline NMC particle. Simulations are performed for multiple particle sizes and rock-salt layer thicknesses to quantify their effects on electrochemical performance. The model accounts for both the additional electrochemically active area created by crack formation and the loss of lithium transport between neighboring grains following cracking. The resulting additional reaction area increases accessible particle capacity. Rock-salt surface layers reduce capacity, and at a fixed layer thickness, this reduction becomes more pronounced with increasing particle size. These findings highlight the competing effects of crack-generated reaction area and rock-salt-induced interfacial resistance on particle capacity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Energy Conversion and Storage, Other |