在Fe单原子催化剂中构建N,S和N,P协调,用于高性能氧氧还氧反应
Xiaoqing Lu1, Jiao Li1, Shoufu Cao1
1School of Materials Science and Engineering, China University of Petroleum, Qingdao, Shandong, 266580, P. R. China.
ChemSusChem
|May 26, 2023
概括
将硫或引入具有铁协调性的单原子催化剂 (SAC) 显著增强了氧减少和进化反应. 这些新的FePN3和FeSN3催化剂表现出卓越的性能和稳定性.
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:
- 单原子催化剂 (SAC) 对于氧减少反应 (ORR) 和氧演化反应 (OER) 是至关重要的.
- 中央金属原子的协调环境对SACs的活动产生了关键的影响.
- 铁 (FeN4) 协调是高度活跃的SAC中常见的动机.
研究的目的:
- 研究将硫 (S) 或 (P) 引入FeN4协调球对铁基SAC电子结构和催化性能的影响.
- 探索新的FeSNx和FePNx单原子催化剂,以增强ORR和OER活动.
主要方法:
- 对FeSxN4-x和FePxN4-x (x=1-4) 协调环境的计算研究.
- 对ORR和OER性能进行合成催化剂的电化学测试.
- 电子结构和催化机制的分析.
主要成果:
- FePN3表现出优异的ORR活性,低超电位为0.29V,超过FeN4.
- FeSN3表现出优越的OER活性,超电位为0.68V,性能优于FeN4.
- FePN3和FeSN3催化剂都表现出了显著的热力学和电化学稳定性.
结论:
- 在SAC中N,P和S原子的协调提供了一个优化的催化环境,与纯N协调相比.
- FePN3和FeSN3分别是ORR和OER的高性能电催化剂.
- 通过N,P和S联合兴奋剂调整协调环境是设计先进单原子催化剂的有效策略.
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