Enhancing Lithium-Sulfur Battery Performance with Dual-Atom Catalysts: A Synergistic Approach

Abstract

Given their potential for exceptional capacity and energy density, lithium-sulfur (Li-S) batteries serve as a viable next-generation energy storage technology. Although, practical Li-S battery implementation is impeded by morphological constraints on efficient S utilization, the “shuttle effect” observed by lithium polysulf ides (LiPSs), and optimization of sequential LiPS redox reactions to minimize ratelimiting steps towards full LiPS conversion. Nevertheless, dual-atom catalysts (DACs) can prospectively address these concerns, given their adaptability to various substrates, maximized atomic utilization efficiency, and distinct electronic structure characteristics. Overall, this review explores recent DACbased advancements, predominately focusing on morphology coupled with atomic coordination, electronic structure combined with redox kinetics, and battery performance. The underlying atomistic mechanisms determining DAC activity are highlighted, encouraging further investigation via computational and experimental approaches. How composition affects experimental properties – including charge transfer, bonding, and property tuning – is edif ied via correlations developed through theoretical frameworks. Across these considerations, how integration of DACs with variedcompositions and morphological characteristics – as well as thermodynamic, kinetic, and electronicproperties – synergistically impact batteries is emphasized. Lastly, this review expounds upon currentchallenges in Li-S battery applications and their possible future resolutions through DAC implementations, extracting core ideas from current research to contextualize approaches for improving battery performance.