材料科学
双金属片
氧气
氧还原
原子轨道
电子结构
化学物理
纳米技术
物理化学
电极
计算化学
化学
金属
电化学
物理
有机化学
量子力学
冶金
电子
作者
Qi Jing,Zhiyuan Mei,Xuelin Sheng,Xiaoxiao Zou,Qijun Xu,Li-Lian Wang,Hong Guo
标识
DOI:10.1002/adfm.202307002
摘要
Abstract The regulation of electronic structure is intricately linked to the intrinsic activity of oxygen reduction. Herein, a strategy for electronic structure modulation induced by bimetallic push–pull electronic effects in dual‐atom catalysts (Fe,Ni/N‐C@NG) is developed. Experiments and theoretical analysis reveal that Fe sites exhibit favorable bonding behaviors (Fe–O: d xz ‐p, d yz ‐p, and d z 2 ‐p) and spin configurations, which can enable rapid desorption of *OH and thus enhance the intrinsic activity of oxygen reduction. In situ monitoring techniques and Gibbs free energy diagram further demonstrate that the adjacent Ni could serve as second active center to participate in oxygen reduction. The Fe,Ni/N‐C@NG exhibits enhanced oxygen reduction reaction activity and excellent stability. Meanwhile, the assembled Zn–air battery maintains stability for over 300 h with a small voltage gap. This study provides multiple insights into the orbital scale laws of oxygen reduction.
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