Atomistic Insight into the Role of Porous Structure in Accommodating the Volume Expansion of Silicon Anodes for Lithium-Ion Batteries
Panupol Untarabut,
Kiettipong Banlusan
Abstract:Despite possessing high theoretical gravimetric capacity, the practical utilization of silicon anodes for lithium-ion batteries is still challenging because of poor capacity retention caused by massive volume expansion upon lithium insertion. The use of porosity to tackle this issue has widely been scrutinized, and porous silicon materials have been experimentally shown to have improved cycling stability. To provide a fundamental understanding of the structural and chemical evolution, we investigated the atomi… Show more
In this work, discrete element method (DEM) simulations were used to probe changes in electrode porosity, electrode strain, and the resultant pressure changes for composite electrodes comprised of active material and binder particles. Through the results acquired by these simulations, three cases that are representative of two limiting cases for electrode operation, and one case for realistic electrode face pressure during operation were captured and the implications on design and performance are discussed. Predicting changes in the porosity is a unique insight that is difficult if not impossible to capture experimentally but is important for predicting changes in electrochemical performance during cycling, and should be addressed early on in the design phase for automotive and grid storage battery design and performance.
In this work, discrete element method (DEM) simulations were used to probe changes in electrode porosity, electrode strain, and the resultant pressure changes for composite electrodes comprised of active material and binder particles. Through the results acquired by these simulations, three cases that are representative of two limiting cases for electrode operation, and one case for realistic electrode face pressure during operation were captured and the implications on design and performance are discussed. Predicting changes in the porosity is a unique insight that is difficult if not impossible to capture experimentally but is important for predicting changes in electrochemical performance during cycling, and should be addressed early on in the design phase for automotive and grid storage battery design and performance.
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