Perspectives on manufacturing simulations of Li-S battery cathodes

Abstract

Lithium-Sulfur Batteries (LSBs) are one of the main contenders for next generation post lithium-ion batteries. As the process of scientific discovery advances, many of the challenges that prevent the commercial deployment of LSBs, specially at the most fundamental materials level, are slowly being addressed. However, batteries are complex systems that require not only from identifying suitable materials, but also from knowing how to assemble and manufacture all the components together in order to obtain an optimally working battery. This is not a simple task, as battery manufacturing is a multi-stepped, multi-parameter, highly correlated process, where many parameters compete, and deep knowledge of the systems is required in order to achieve the optimal manufacturing conditions, which has already been shown in the case of Lithium-Ion Batteries (LIBs). In these regards, manufacturing simulations have proven to be invaluable in order to advance in the knowledge of this exciting and technologically relevant field. Thus, in this work, we aim at providing future perspectives and opportunities that we think are interesting in order to create digital twins for the LSB manufacturing process. We also provide comprehensive and realistic ways in which already existing models could be adapted to LSBs in the short-term, and which are the challenges that might be found in the way.

Data Specifications for Battery Manufacturing Digitalization: Current Status, Challenges, and Opportunities

“…However, some of these technologies involve significantly different manufacturing steps, and as such will require radically different approaches. For some of these, such as lithium‐sulphur battery manufacturing, initial steps have been taken to address these issues, [198] but as these technologies are developed, more work will be required regarding digitalization, accounting for each specific step and technology.…”

Machine Learning-Assisted Multi-Objective Optimization of Battery Manufacturing from Synthetic Data Generated by Physics-Based Simulations

“…As a perspective, we aim to extend our study to other manufacturing steps, such as the electrolyte infiltration, the formation and the electrochemical performance. The overall proposed approach in this article, while being demonstrated for LIBs, can be transferred to the manufacturing of other battery technologies and the manufacturing of composite materials in general [73]. In addition, we believe that our approach can be adapted to optimize LIB performance and lifetime, through the generation of synthetic data from physics-based performance models accounting for multiple aging mechanisms (e.g.…”

Effect of Preload Force on the Performance of Dual‐Electrolyte Li‐Air Batteries

“…Traditional lithium‐ion batteries (LIBs) have been limited for small energy density and high material costs in the last 30 years [1–5] . LABs not only have the advantages of high theoretical energy density and are friendly to the environment but also absorb O 2 from the environment to achieve reversible charging and discharging process, becoming one of the most promising choices of high‐energy density energy storage systems for new generation electric vehicles, have received great research attention of researchers in recent years [6–17] . The actual energy density of LABs which can reach 3600 Wh ⋅ kg −1 is comparable to gasoline and it achieves energy storage and transportation by realizing the mutual conversion of electrical and chemical energy [18] .…”

“…[1][2][3][4][5] LABs not only have the advantages of high theoretical energy density and are friendly to the environment but also absorb O 2 from the environment to achieve reversible charging and discharging process, becoming one of the most promising choices of high-energy density energy storage systems for new generation electric vehicles, have received great research attention of researchers in recent years. [6][7][8][9][10][11][12][13][14][15][16][17] The actual energy density of LABs which can reach 3600 Wh ⋅ kg À 1 is comparable to gasoline and it achieves energy storage and transportation by realizing the mutual conversion of electrical and chemical energy. [18] When classified according to the type of electrolyte currently used, there are four different types of LABs: nonaqueous, aqueous, dual-electrolyte and solid electrolyte batteries.…”