Engineering d–p orbital hybridization of single-atom Fe sites via axial B-mediation for the oxygen reduction reaction

作者：Xiaoqin Xu, Tianmi Tang, Xue Bai, Tao Gan, Jingqi Guan · 发表于：Chemical Science · 年份：2025 · DOI：10.1039/d5sc07064c · 被引用次数：18 · 研究领域：Electrocatalysts for Energy Conversion、Supercapacitor Materials and Fabrication、Ammonia Synthesis and Nitrogen Reduction

The electronic structure of single-atom Fe sites was modulated through d – p orbital hybridization with an axial B atom. The hybridization of Fe 3d and B 2p orbitals increased e g occupation and unpaired electrons to improve ORR kinetics.