氧还原反应
星团(航天器)
材料科学
Atom(片上系统)
还原(数学)
电子结构
氧还原
氧原子
原子物理学
氧气
纳米技术
物理化学
计算化学
化学
分子
物理
计算机科学
电化学
几何学
数学
有机化学
电极
嵌入式系统
程序设计语言
作者
Jing Wu,Jian Rong,W. J. Chen,Chaosheng Wang,Chun Feng,Huaisheng Ao,Chengzhang Zhu,Yuzhe Zhang,Zhongyu Li
出处
期刊:Rare Metals
[Springer Science+Business Media]
日期:2025-05-21
卷期号:44 (9): 6279-6291
被引量:1
标识
DOI:10.1007/s12598-025-03342-7
摘要
Abstract Regulating the electronic structure and oxygen‐containing intermediates adsorption behavior on Fe‐based catalysts is of great significance to cope with the sluggish oxygen reduction reaction (ORR) kinetics, but it still remains a great challenge. In this work, Fe atom clusters (Fe AC ) modified by high‐density Cu single atoms (Cu SA ) in a N,S‐doped porous carbon substrate (Fe AC /Cu SA @NCS) is reported for enhanced ORR electrocatalysis. Fe AC /Cu SA @NCS exhibits excellent ORR performance with a half‐wave potential ( E 1/2 ) of 0.911 V, a high four‐electron process selectivity and excellent stability. The ORR performance is also verified in the Fe AC /Cu SA @NCS‐based Zn‐air battery, which shows a high peak power density of 192.67 mW cm −2 , a higher specific capacity of 808.3 mAh g −1 and impressive charge–discharge cycle stability. Moreover, density functional theory calculations show that Cu single atoms synergistically modulate the electronic structure Fe active atoms in Fe atomic clusters, reducing the energy barrier of the rate‐determining step (i.e., * OH desorption) on Fe AC /Cu SA @NCS. This work provides an effective way to regulate the electronic structure of Fe‐based catalysts and optimize their electrocatalytic activity based on the introduction of a second metal source.
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