双功能氧降解/进化反应电催化剂通过轴联体调制在二维氨酸框架上实现
Tianze Xu1, Tianyang Liu1, Yu Jing1
1Jiangsu Co-Innovation Centre of Efficient Processing and Utilization of Forest Resources, College of Chemical Engineering, Nanjing Forestry University, Nanjing 210037, China. liutianyang@njfu.edu.cn.
我们设计了一种新的二维共价有机框架 (COF),用于高效的氧降解和进化反应 (ORR/OER). 这种金属--碳单原子催化剂显示了可调节的活性,为能源设备提供了低成本的替代方案.
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:
- 开发高效,低成本的氧降解和演化反应 (ORR/OER) 的双功能催化剂对于储能和能量转化至关重要.
- 现有的催化剂经常面临成本,效率和稳定性方面的挑战.
研究的目的:
- 设计和研究一种新的二维共价有机框架 (COF),作为一种高效的ORR/OER双功能催化剂.
- 通过连接体调制和金属中心替代来探索催化活动的可调性.
主要方法:
- 的尺寸扩展 (II) 中四乙烯基 (Co-TEP),以创建一个二维的Co-TEP单层.
- 第一个原则计算和微动力学模拟来评估催化性能.
- 分析金属--碳单原子催化剂活性和连接剂效应.
主要成果:
- 2D Co-TEP 单层表现出单原子催化剂活性,Co 原子通过 pyrrolic-N 协调稳定.
- 2D Co-TEP-CN 在酸性和性介质中表现出极好的ORR/OER性能.
- 在ORR半波潜力和ORR半波潜力之间实现了小的电位差异 (0.85V在pH=1),超过了Pt/IrO2.
- 催化性能仍然很高,Mn,Fe或Ni作为中心金属原子.
结论:
- 设计的2D Co-TEP COF是一个有前途的双功能ORR/OER催化剂.
- 罗基-N协调和轴联体调制是增强催化活性的关键因素.
- 这项工作为设计高效的2D COF催化剂,用于电化学能源应用提供了洞察力.
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