Boosting(机器学习)
氧还原反应
兴奋剂
氧气
材料科学
氧还原
碳纤维
化学工程
化学
还原(数学)
纳米技术
光电子学
物理化学
复合材料
有机化学
计算机科学
电化学
工程类
复合数
几何学
数学
电极
机器学习
作者
Xiao Liu,Wanqing Yu,Jing Liu,Sunrui Luan,Shengchang Li,Xuejing Cui,Luhua Jiang
出处
期刊:ACS Sustainable Chemistry & Engineering
[American Chemical Society]
日期:2024-03-07
标识
DOI:10.1021/acssuschemeng.4c00286
摘要
Herein, a novel oxygen reduction reaction (ORR) electrocatalyst, consisting of an N,S-codoped carbon shell encapsulating Fe5C2 nanoparticles, is developed through self-assembled supramolecular structures and controlled pyrolysis. The resulting Fe5C2@SNC catalyst exhibits exceptional electrocatalytic performance, with a high half-wave potential (E1/2) of 0.86 V, comparable to that of commercial Pt/C. The distinctive core–shell structure contributes to excellent stability, demonstrating an 89% current maintenance after 20 h of continuous chronoamperometry testing. In Zn-air battery applications, the catalyst achieved a peak power density of 222 mW cm–2, surpassing that of its Pt/C counterpart. Combining the experiments and density functional theory calculations, the synergistic effects of axial Fe5C2 nanoparticles and laterally SOx-functionalized Fe–Nx carbon planes within Fe5C2@SNC have been comprehensively unveiled. The electron-withdrawing nature of sulfur leads to charge redistribution, particularly on N sites proximal to the SOx group. Additionally, the axial Fe5C2 nanoparticles have precisely modulated the d-band center of the Fe5C2@SNC catalyst, optimizing oxygen intermediate adsorption and enhancing the ORR activity. This work highlights the understanding and harnessing of synergistic catalysis via a controllable core–shell structure, providing an effective way for developing highly efficient and stable electrocatalysts for energy conversion and storage applications.
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