An overview of degradation phenomena modeling in lithium-ion battery electrodes

Abstract

The formation of solid electrolyte interphase and diffusion induced microcrack in the lithium-ion battery electrodes are predominant degradation mechanisms, which cause capacity fade and cell impedance rise. Physics-based degradation models reveal new insights and allow fundamental understanding of the transport-chemistry-mechanics interactions. In addition, simulation-based diagnostics (e.g. electrochemical impedance spectroscopy, acoustic emission characteristics) can enable virtual probing and interrogation of electrode degradation behavior. This short perspective highlights the recent progress in physics-based degradation modeling and virtual diagnostics in lithium-ion battery electrodes. A thermal-electrochemical model that gives spatial-dependent growth of solid electrolyte interphase in a Li-ion battery," Journal of Power Sources, 2014, 268, 482-490. Using the thermal-electrochemical model, the authors reported the thermal behavior of the SEI layer. This model successfully captures the high capacity loss in high-temperature operation. In this article, the authors developed a lattice spring based computational model to capture the concentration gradient induced microcrack formation and evolution in graphite active particles under disparate operating and cycling conditions.

Electrochemical-thermal P2D aging model of a LiCoO2/graphite cell: Capacity fade simulations

“…Although the P2D model developed thus far accounts for dissipative phenomena within a cell and is able to predict isothermal electrochemical performance (such as, e.g., voltage response, potential and concentration profiles based on a constant or time-varying current density input), strictly speaking it cannot be used for investigating aging phenomena since it neglects the thermal/electrochemical coupling that arises as a consequence of the temperature depedence of the cell physico-chemical properties (such as, e.g., lithium-ion diffusivities and conductivities and any additional side reaction rates) and the heat generation term in the energy balance equation. (As is well known, the thermal behavior of a lithium-ion cell has a dramatic impact on its cycle life and, in particular, on the initiation of degradation processes [30,54].) Therefore, to date the P2D (as well as more complex multiscale derivative models) has been addressed in a number of studies focused on its coupling to a thermal model [55,56,57,46,58,59,60,61].…”

State of the Art and Future Research Needs for Multiscale Analysis of Li-Ion Cells

“…Another important inference that can be obtained from the impedance response and capacity fade is that due to the chemomechanical degradation phenomena in the electrodes, such as the SEI formation and microcrack formation in the active particles due to lithium diffusion induced stress. Electrode microstructural attributes play an important role in the chemomechanical degradation aspects [162][163][164]. For example, a typical graphite electrode with smaller particle size tends to have a larger electrochemically active area which may lead to enhanced SEI formation and hence more profound capacity fade [164].…”

Nafion‐coated LiNi0.80Co0.15Al0.05O2 (NCA) cathode preparation and its influence on the Li‐ion battery cycle performance

“…Some of the materials are layered oxides such as lithium nickel manganese cobalt oxides (NMC) or lithium nickel cobalt oxides (NCO). 8,9 Within that Ni-rich cathode family, LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA) is a highly promising candidate, particularly for utilizing in electric vehicles. Their delithiated phase creates a thermally stable environment, which, in turn, reduces the safety concerns.…”

“…Nickel‐rich layered cathodes are the solution to this problem since they provide high reversible capacity and reasonable costs. Some of the materials are layered oxides such as lithium nickel manganese cobalt oxides (NMC) or lithium nickel cobalt oxides (NCO) 8,9 . Within that Ni‐rich cathode family, LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA) is a highly promising candidate, particularly for utilizing in electric vehicles.…”