To address the challenges in Li–S batteries, i.e. the shuttle effect and lithium dendrite formation, a high-entropy MXene (HE-MXene) of TiVNbMoC₃ with four size-compatible transition metal elements uniformly dispersed in its M-layer is designed as sulfur host and separator modification layer. Through theoretical analysis and experimental investigations, the synergistic engineering of the multi-active centers within the HE-MXene is revealed, which provides high configuration compatibility with lithium polysulfides and optimizes the d-band center. Furthermore, the HE-MXene delivers an atom-dominated relay catalysis effect of Ti, V, Nb and Mo sites throughout the ordered multistep sulfur redox reactions, providing new opportunities for enabling a cascade of trapping-catalysis-conversion towards polysulfides and continuously mitigating the shuttle effect in Li–S chemistry. Moreover, the homogeneous electric field distribution and resilient lattice configuration are facilitated by the HE-MXene on the separator, promoting uniform lithium nucleation and deposition on lithium anode. Leveraging these unique properties, Li–S batteries incorporating the HE-MXene demonstrate a high areal capacity of 4.92 mA h cm⁻² at 0.2C after 100 cycles. This study not only introduces the HE-MXene as a solution for shuttle-free sulfur cathodes and dendrite-free lithium anodes, but also provides valuable insights for the rational design of advanced electrocatalysts at the atomic level.

中文翻译：

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高熵 MXene 的原子主导中继催化促进锂硫电池的级联多硫化物转化


为了解决Li-S电池中的挑战，即穿梭效应和锂枝晶形成，TiVNbMoC ₃的高熵MXene（HE-MXene）具有均匀分散在其M层中的四种尺寸兼容的过渡金属元素，设计为：硫主体和隔膜改性层。通过理论分析和实验研究，揭示了HE-MXene内多活性中心的协同工程，它提供了与多硫化锂的高度构型兼容性并优化了d带中心。此外，HE-MXene 在整个有序多步硫氧化还原反应中提供 Ti、V、Nb 和 Mo 位点的原子主导中继催化效应，为实现多硫化物的捕获-催化-转化级联提供了新的机会，并不断减轻Li-S化学中的穿梭效应。此外，隔膜上的 HE-MXene 促进了均匀的电场分布和弹性晶格结构，促进锂阳极上均匀的锂成核和沉积。利用这些独特的特性，采用 HE-MXene 的锂硫电池在 0.2C 下经过 100 次循环后表现出 4.92 mA h cm ^-2的高面积容量。这项研究不仅介绍了HE-MXene作为无梭硫阴极和无枝晶锂阳极的解决方案，而且为原子水平上先进电催化剂的合理设计提供了宝贵的见解。