构建轨道合模块化的同质双原子Fe-Fe站点,以促进多硫化物的双向转换
Shuai Zhang1, Youquan Zhang1, Li Ma1
1State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, China.
ACS applied materials & interfaces
|July 4, 2024
概括
这项研究引入了一种新型的双原子铁催化剂 (Fe2@NCP),通过改善聚硫化物相互作用和反应动力学来提高硫电池性能. 新的催化剂显著提高了电池的寿命和稳定性.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 催化剂是一种催化剂.
背景情况:
- 硫 (Li-S) 电池具有高能量密度,但受到聚硫化物穿效应和缓慢反应动力学的影响.
- 同质双原子催化剂 (HDACs) 对Li-S电池具有前景,但控制它们的电子结构以获得最佳的催化活性是具有挑战性的.
研究的目的:
- 通过调节金属原子轨道来开发一种新的HDAC,以提高Li-S电池中聚硫化物的催化活性.
- 研究电子结构的改变及其对多硫化物相互作用和氧化还原动力学的影响.
主要方法:
- 采用了接口覆盖策略来合成一种新的双原子铁催化剂,具有FeN2P1-FeN2P1协调结构 (Fe2@NCP).
- 通过理论计算,分析了电子结构,Fe-S轨道合和聚硫化物转换的能量障碍.
- 使用不同电流密度和硫载荷的Li-S电池和袋式电池评估了电化学性能.
主要成果:
- Fe2@NCP催化剂显示,由于的结合,Fe中心中的3d轨道电子被重新分配,导致强大的Fe d-S p轨道合.
- 观察到Li2Sx物种的增强吸附和Li2S沉积/分解的能量障碍显著减少.
- 组装的Li-S电池在1C的500个循环后实现了77.3%的容量保留,而一个Li-S袋式电池在0.1C的100个循环中显示了80.2%的容量保留.
结论:
- 接口覆盖策略有效调节双原子催化剂的电子结构,以提高Li-S电池的性能.
- Fe2@NCP对聚硫化物表现出极好的催化活性,增强氧化还原动力学并提高电池循环寿命.
- 这项工作为设计高性能Li-S电池的先进同质双原子催化剂提供了新的途径.
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