Improved ORR Performance of Precious Metal-Free Fe Single-Atom Catalysts by Heteroatom Doping

IF 4.3 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Advanced Materials Interfaces Pub Date : 2025-07-01 DOI:10.1002/admi.202500253

Zhexin Pan, Yiming Zhu, Yihong Liu, Wei-Hsiang Huang, Yujie Cui, Yang Zhao, Menghao Yang, Hongfei Cheng, Nicolas Alonso-Vante, Jiwei Ma

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Abstract

The development of platinum group metal (PGM)-free catalysts is essential to advance the wide application of fuel cells. Single-atom Fe─N─C catalysts are one type of promising PGM-free catalysts that can replace the expensive Pt/C catalyst for the electrocatalytic oxygen reduction reaction. However, Fe─N─C catalysts still suffer from poor stability due to the inevitable Fenton reaction. In this work, a doping strategy is demonstrated to alter the electronic structure around the catalytic sites and significantly improve their catalytic activity. In particular, the phosphorous-doped Fe─N─C catalyst (P─Fe─N─C) achieves a half-wave potential of 0.885 V versus RHE in 0.1 m KOH and demonstrates excellent stability, with only a 7 mV decay in the half-wave potential after 10 000 cyclic voltammetry cycles, superior to that of boron-doped one (B─Fe─N─C). Density functional theory (DFT) calculations further confirm that heteroatom doping favors the ORR process, highlighting the potential of this catalyst for advanced energy applications.

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杂原子掺杂改善无贵金属铁单原子催化剂的ORR性能

无铂族金属催化剂的开发是推进燃料电池广泛应用的必要条件。单原子Fe─N─C催化剂是一种很有前途的无pgm催化剂，可以取代昂贵的Pt/C催化剂用于电催化氧还原反应。但Fe─N─C催化剂由于不可避免的Fenton反应，稳定性较差。在这项工作中，掺杂策略被证明可以改变催化位点周围的电子结构，并显着提高它们的催化活性。特别是掺磷的Fe─N─C催化剂（P─Fe─N─C）在0.1 m KOH条件下相对于RHE的半波电位为0.885 V，表现出优异的稳定性，在10000次伏安循环后半波电位衰减仅为7 mV，优于掺硼的Fe─Fe─N─C催化剂（B─Fe─N─C）。密度泛函理论（DFT）计算进一步证实了杂原子掺杂有利于ORR过程，突出了该催化剂在先进能源应用中的潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Advanced Materials Interfaces CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

8.40

自引率

5.60%

发文量

1174

审稿时长

1.3 months

期刊介绍： Advanced Materials Interfaces publishes top-level research on interface technologies and effects. Considering any interface formed between solids, liquids, and gases, the journal ensures an interdisciplinary blend of physics, chemistry, materials science, and life sciences. Advanced Materials Interfaces was launched in 2014 and received an Impact Factor of 4.834 in 2018. The scope of Advanced Materials Interfaces is dedicated to interfaces and surfaces that play an essential role in virtually all materials and devices. Physics, chemistry, materials science and life sciences blend to encourage new, cross-pollinating ideas, which will drive forward our understanding of the processes at the interface. Advanced Materials Interfaces covers all topics in interface-related research: Oil / water separation, Applications of nanostructured materials, 2D materials and heterostructures, Surfaces and interfaces in organic electronic devices, Catalysis and membranes, Self-assembly and nanopatterned surfaces, Composite and coating materials, Biointerfaces for technical and medical applications. Advanced Materials Interfaces provides a forum for topics on surface and interface science with a wide choice of formats: Reviews, Full Papers, and Communications, as well as Progress Reports and Research News.