Scientists have assessed the vital contributions computational approaches have made to the study of alkali ion flow in alkali-ion batteries. Ubiquitous lithium-ion batteries are currently the dominant means of powering consumer electronic devices, while sodium-ion batteries are enjoying a resurgence. Alkali ion transport in the components (electrodes, electrolyte and their interface) of such batteries strongly affects their performance, but the factors affecting it are not well understood. Zhi Deng of the University of California and co-authors note that computational methods for analysing the flow of alkali ions in alkali-ion batteries provide valuable insights for enhancing battery performance. They review the computational methods available, outlining their advantages and limitations, and discuss how such methods have advanced the understanding and design of battery components. Finally, the researchers mention current challenges and possible future developments in this field.
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