The need for the development of all solid-state lithium-ion batteries has been recognized in recent years given the safety concerns associated with the current liquid electrolytes. Several groups of materials from polymers to sulfides and oxides have been investigated for application as solid electrolytes. Among them multi-metal oxides are great candidates given their stability and diverse range of structures and compositions. We have synthesized and investigated a series of new materials that feature layered-perovskite structure, where lithium ions can be transported through the spaces between the layers. Using a combination of computational and experimental studies, we have demonstrated that it is possible to synthesize layered-perovskites where lithium ions are exclusively located in inter-layer spaces. We then optimized the compositions and structure to achieve shorter Li-Li hopping distances, leading to enhanced lithium-ion conductivity. We further improved the conductivity by introducing defects in the lithium-layer, which allowed the lithium ions to move more freely in the inter-layer spaces. The success of the above strategies, i.e., the enhancement of lithium-ion conductivity as a result of shortening the lithium hopping distance and creating defects in the lithium layer, indicates the potential of layered-perovskites for application as solid-electrolytes in lithium-ion batteries. Computational studies confirmed the pathway and orientation of lithium-mobility in these materials and determined the energy barriers associated with different conduction pathways.

Designing solid electrolytes for lithium-ion batteries: Experimental and computational studies

2019 Spring National Meeting

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