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Axial orbital hybridization enables single-atom Fe-N-C hollow microplates for efficient oxygen reduction

Authors: Fei-Xiang Ma; Jianghua Wu; Xiongyi Liang; Guobin Zhang; Zheng-Qi Liu; Hong-Shuang Fan; Jian Lu; Cheng-Yan Xu; Xiao Cheng Zeng; Yang Yang Li

DOI: 10.1007/s40843-025-3682-6Status: Verified Translated Edition
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Key Findings in This Report

• • FeN5@N-C hollow microplates achieve a half-wave potential of 0.93 V vs. RHE, surpassing Pt/C (typically 0.85–0.90 V) and enabling a 225.3 mW cm−2 peak power density in Zn-air batteries, directly addressing the performance bottleneck of non-precious ORR catalysts. • • The axial nitrogen coordination (Fe-N5) induces additional 3d-2p orbital hybridization that weakens OH* binding compared to planar Fe-N4, as confirmed by theoretical calculations, providing a mechanistic basis for enhanced intrinsic activity. • • The polydopamine-assisted hollowing strategy is versatile, successfully encapsulating Ni, Co, Mn, and Cu single atoms into N-doped carbon hollow microplates, demonstrating a platform for synthesizing diverse single-atom catalysts with tailored coordination environments. • • Zn-air batteries using FeN5@N-C air-cathode exhibit stable cyclability up to 400 h, indicating excellent durability under operational conditions, a critical requirement for practical energy storage applications.