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双原子站点催化剂的旋转工程,以实现高效的电化学能量转换

Dongping Xue¹, Yu Zhao¹, Jianliang Cao¹

¹College of Chemistry and Chemical Engineering, Henan Polytechnic University, Jiaozuo, 454000, P. R. China.

Advanced materials (Deerfield Beach, Fla.)

|June 18, 2025

概括

双原子位点催化剂 (DASCs) 通过利用自旋合效应来提供增强的能量转换. 本综述为理解和设计用于先进电催化剂的DASC提供了以旋转为重点的框架.

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:

由于独特的合效应,双原子位点催化剂 (DASC) 与单原子催化剂相比显示出更高的能量转化效率.
在DASC中旋转对齐可以显著改变反应机制和整体催化性能.
目前在现有文献中缺乏针对DASC的全面,以旋转为重点的框架.

研究的目的:

建立一个以旋转为重点的框架,以了解DASCs的催化行为.
审查DASC的旋转工程策略及其对电催化物的影响.
讨论将机器学习和高通量选整合到DASC开发中.

主要方法:

电催化剂中旋转基本原理的综合概述 (旋转选择性轨道占用,旋转排序,旋转合).
审查旋转工程策略:操纵中心原子旋转配置,协调环境和金属支相互作用.
讨论结构-性能关系和先进的计算技术 (机器学习,高通量选).

主要成果:

在DASC中,自旋合为能量转换提供了与单原子系统相比的独特优势.
可以使用有效的旋转工程策略来优化DASC性能.
机器学习与高通量选集成显示出发现新型DASC的前景.

结论:

旋转在DASCs的电催化活性中发挥着关键作用.
先进的旋转工程方法对于开发高效的DASC至关重要.
对旋转依赖的DASC进行进一步的研究对于下一代能源应用至关重要.

关键词:

双原子位点催化剂的催化剂旋转效应是一个旋转效应.旋转工程是指旋转工程.

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