Modeling the morphological-dependent performance of metal-ion battery: A promising yet overlooked strategy

Abstract

All-solid-state batteries (ASSBs) have emerged as a promising alternative to traditional lithium-ion batteries (LIBs) due to their potential to mitigate the safety concerns which are associated with the use of liquid electrolytes. However, the practical implementation of ASSBs is hindered by the low mobility of Li-ions, and the inefficient ion migration within the solid-state electrolytes, which can be enhanced altogether by selecting a suitable material blend as solid-electrolyte with an optimum blend ratio. This enhancement provides us with a wide range of blend microstructures that can significantly improve the Li-ion mobility across the electrolyte, leading to enhanced battery performance. However, the vast space of material blends poses a challenge for experimental screening. So, to tackle this, computational models have been utilized to identify the most suitable blend for ASSBs. This research aims to enhance the electrochemical characteristics, and the Li-ion conductivity across the solid-electrolyte for an ASSB using numerical methods to zero in on the suitable blend ratio that can be used as a solid-electrolyte. The study presents a detailed analysis of a novel diffuse-interface approach, to model, and assess the impact of phase-separating blends on the electrochemical performance of the ASSBs.