Numerical Modeling of 3D Printed Structures for Lithium Metal Batteries

The development of lithium metal batteries to enable their use in commercial applications can have a significant impact on the fight against climate change due to the increase in energy density compared to state of art Li-ion batteries. However, technical challenges related to limited cyclability and non-uniformity of Li electroplating need to be addressed. This requires understanding the interplay between nucleation density, solid-electrolyte-interphase (SEI) formation, transport limitations, and unstable growth. 3D printed electrodes are of interest for electrochemical devices for their ability to tailor the electrode shape and structure to minimize system losses through enhanced ion transport and increased surface area for electrochemical reactions. 3D printed structures are constrained by the resolution of the printing method which can limit the feature size of the printed architecture. Numerical modeling of these structures can elucidate the interactions of competing physical phenomena, demonstrate tradeoffs, and estimate critical length scales and design principles that make 3D printed structures outperform traditional planar electrodes. Additionally, simulations can be used to identify failure points, complement experimental results, and deepen the understanding of fundamental questions hindering Li-metal deployment. In this presentation, we will show our recent work using continuum modeling to guide the design and evaluation of 3D printed electrodes for lithium metal batteries. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the LLNL-LDRD program under project numbers 22-ERD-043 and 23-SI-002.