硫桥式双Fe-N4站点以提高硫电池的性能
Yapeng Cheng1,2, Jiachen Ma3, Canhuang Li1,2
1Catalonia Institute for Energy Research-IREC, Sant Adrià de Besòs, Barcelona 08930, Spain.
Journal of the American Chemical Society
|October 16, 2025
概括
一种具有双Fe-N4结构的新型铁单原子催化剂提高了硫电池的性能. 这种催化剂增强了电子转移和硫氧化还原动力,
科学领域:
- 材料科学
- 电化学
- 催化剂
背景情况:
- D-块单原子催化剂 (SAC) 对硫 (Li-S) 电池具有前景.
- 在d块SAC中定位的3d轨道为硫中间激活创建能量屏障.
- 3D轨道中的电子流动性较差,阻碍了与多硫化物 (LiPS) 2p轨道的杂交.
研究的目的:
- 设计和合成一种新型的单原子催化剂,以克服在Li-S电池中的d块SAC的局限性.
- 研究新催化剂的催化活性和机制,以增强Li-S氧化还原动力学.
- 在苛刻的条件下评估催化剂在Li-S细胞中的性能.
主要方法:
- 一个单原子铁催化剂的合成在配的多孔碳支架上,由硫 (Fe-SNC) 桥接的双Fe-N4结构.
- 使用LiPS吸附试验,密度函数理论 (DFT) 计算,循环电压测量和潜在静态沉积/溶解实验进行表征.
- 在Li-S电池中对S@Fe-SNC阴极进行电化学测试,包括高硫负荷和稀薄电解质条件.
主要成果:
- 由于非定位的Fe 3d轨道和双Fe-N4层之间的动态电子转移,Fe-SNC催化剂表现出优异的催化活性.
- 使用S@Fe-SNC阴极的Li-S电池具有高初始容量 (在0.1C时为1550 mAhg-1),在3C时为1200次循环后具有优异的循环稳定性 (546 mAhg-1),并且具有显著的面积性能 (8.0 mAhcm-2).
- DFT计算显示了高效的层间电子转移和不对称的旋转演变,增强了轨道杂交和反应动力学.
结论:
- 硫桥轴双 Fe-N4 结构有效地增强了双向 Li-S 氧化还原动力学.
- Fe-SNC是先进的Li-S电池的高效催化剂,可实现高硫利用率,长周期寿命和更高速率的能力.
- 催化剂的设计为开发下一代储能高性能SAC提供了新的策略.
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