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. However, practical Li–S battery implementation is impeded by morphological constraints on efficient S utilization, the “shuttle effect” observed with lithium polysulfides (LiPSs), and the need for optimization of sequential LiPS redox reactions to minimize rate-limiting steps towards full LiPS conversion. Dual-atom catalysts (DACs) have the potential to address these concerns, given their adaptability to various substrates, maximized atomic utilization efficiency, and distinct electronic structure characteristics. Overall, this review explores recent DAC-based 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 elucidated via correlations developed through theoretical frameworks. Across these considerations, how the integration of DACs with varied compositions and morphological characteristics – as well as thermodynamic, kinetic, and electronic properties – synergistically impacts batteries is emphasized. Lastly, this review expounds upon current challenges in Li–S battery applications and their possible future resolutions through DAC implementation, extracting core ideas from current research to contextualize approaches for improving battery performance.