山东大学奚宝娟团队报道了在多孔N掺杂碳基体上P掺杂RuSe₂催化剂加速硫氧化还原反应。相关研究成果发表在2024年8月28日出版的《德国应用化学》。

单组分催化剂由于其固有的电子结构，对多硫化物的催化转化率有限，但可以通过引入杂原子来调节其电子结构来提高其催化活性。然而，掺杂元素的合理选择原则尚不清楚。

该文中，研究人员以理论计算为指导，根据多硫化锂（LiPSs）的吸附强度和硫化锂的催化活性之间的平衡关系来选择合适的掺杂元素。

应用该筛选方法开发了一种新的掺磷RuSe₂催化剂，与原始RuSe₂相比，其电导率进一步提高，促进了电荷转移，并进一步调节了RuSe₂的d带中心，从而增强了其与LiPSs相互作用的有效性。因此，即使在8.0 mg cm^–2的高硫负载和贫电解质条件下（5.0μL mg^–1），组装电池的面积容量也为7.7 mAh cm^–2。

这种合理的筛选策略为锂硫电池领域以及潜在的其他领域的先进催化剂设计，提供了一种稳健的解决方案。

附：英文原文

Title: P-doped RuSe2 on Porous N-doped Carbon Matrix as Catalysts for Accelerated Sulfur Redox Reactions

Author: Bin Li, Peng Wang, Jia Yuan, Ning Song, Jinkui Feng, Shenglin Xiong, Baojuan Xi

Issue&Volume: 2024-08-28

Abstract: Monocomponent catalysts exhibit the limited catalytic conversion of polysulfides due to their intrinsic electronic structure, but their catalytic activity can be improved by introducing heteroatoms to regulate its electronic structure. However, the rational selection principles of doping elements remain unclear. Here, we are guided by theoretical calculations to select the suitable doping elements based on the balanced relationship between the adsorption strength of lithium polysulfides (LiPSs) and catalytic activity of lithium sulfide. We apply the screening method to develop a new catalyst of phosphorus doped RuSe2, manifesting the further enhanced conductivity compared with original RuSe2, facilitating charge transfer and further modulating the d–band center of RuSe2, thereby augmenting its effectiveness in interacting with LiPSs. Consequently, the assembled cell exhibits an areal capacity of 7.7 mAh cm–2, even under high sulfur loading of 8.0 mg cm–2 and a lean electrolyte condition (5.0 μL mg–1). This rational screening strategy offers a robust solution for the design of advanced catalysts in the field of lithium–sulfur batteries and potentially other domains as well.

DOI: 10.1002/anie.202408906

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202408906