Abstract
Electrochemical physics-based simulations of Li-ion batteries using a mesoscale 3D structure of porous electrodes are one of the most effective approaches for evaluating the local Li concentration in active materials and the Li-ion concentration in electrolytes. However, this approach requires considerable computational resources compared with a simple 2D or 1D homogeneous simulation. In this work, we developed an advanced electrochemical physics-based simulation method for Li-ion batteries that enabled a quasi-3D simulation of charge/discharge using only a single 2D slice image. The governing equations were based on typical theories of electrochemical reactions and ion transport. From referencing the 2D plane, the model was able to simulate both the Li concentration in the active material and the Li-ion concentration in the electrolyte for their subsequent consideration in a virtual 3D structure. To confirm the validity of our proposed model, a full 3D discharge simulation with randomly packed active material particles was performed and compared with the results of the quasi-3D model and a simple-2D model. Results indicated that the quasi-3D model properly reproduced the sliced Li and Li-ion concentrations simulated by the full 3D model in the charge/discharge process, whereas the simple-2D simulation partially overestimated or underestimated these concentrations. In addition, the quasi-3D model made it possible to dramatically decrease the computation time compared to the full-3D model. Finally, we applied the model to an actual scanning electron microscopy equipped with a focused ion beam (FIB-SEM) image of a positive electrode.Graphic abstract
Highlights
Lithium-ion (Li-ion) batteries are recognized as the most promising technology for energy storage because of their high energy density, lightweight and long cycling life [1, 2]
Electrochemical physics-based models [4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25] are useful tools to calculate the various nonlinear resistance components of a battery, including the diffusion of Li, stress in active material particles, electrochemical reactions and ionic transport in electrolytes, while simple equivalent circuit models [26–30] assume that the resistance of the battery is constant or a function of the current and temperature
We propose a new electrochemical physics-based simulation method for Li-ion batteries that enables a quasi-3D calculation of charge/discharge and a dramatic decrease in the amount of calculation by using a single 2D slice image of porous electrodes for consideration in a virtual 3D structure
Summary
Lithium-ion (Li-ion) batteries are recognized as the most promising technology for energy storage because of their high energy density, lightweight and long cycling life [1, 2]. Many studies of charge/discharge simulations based on the mesoscale three-dimensional (3D) structure of porous electrodes have been reported [11,12,13,14,15,16,17,18,19,20,21,22] In these cases, porous electrodes were modeled by random packed spheres/hemispheres [11,12,13,14,15] or actual structures based on scanning electron microscopy equipped with a focused ion beam (FIB-SEM) results [17,18,19,20,21,22] to evaluate the 3D distribution of Li in the active material particles, Li-ion concentration in the electrolyte, and the stress distribution and temperature field of electrodes. We applied the model to an actual FIB-SEM image of a positive electrode and evaluated the distributions of Li and Li-ion concentrations in the plane
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
