自旋电子学
电催化剂
双金属片
催化作用
密度泛函理论
自旋态
化学物理
化学
氧气
材料科学
析氧
自旋(空气动力学)
纳米技术
无机化学
计算化学
铁磁性
电极
凝聚态物理
物理化学
电化学
物理
热力学
有机化学
生物化学
作者
Li-Lian Wang,Zhiyuan Mei,Qi An,Xuelin Sheng,Qi Jing,Wenjin Huang,Xiaofeng Wang,Xiaoxiao Zou,Hong Guo
出处
期刊:Chem catalysis
[Elsevier]
日期:2023-10-01
卷期号:3 (10): 100758-100758
被引量:2
标识
DOI:10.1016/j.checat.2023.100758
摘要
Spin-state regulation is currently judged to be a very efficient approach to improving oxygen electrocatalytic capacity. Herein, we propose a bimetallic iron-zinc atomic catalyst and elucidate its main spintronic catalysis mechanism through a combination of in situ spectroelectrochemistry and molecular orbital theory. The electron/charge interaction between bimetals can elicit the transition of the electronic spin state and a change in charge density at active centers. As demonstrated by mechanistic study, these alterations can optimize the bond-order values of the orbital interactions between intermediates and active centers. This renders its oxygen reduction reaction (ORR) activity and stability comparable to or even exceeding that of the benchmark Pt/C in pH-universal electrolytes. Moreover, the alkaline and neutral Zn-air batteries driven by Fe,Zn/N-C show satisfactory performance with peak power densities of 211.7 and 95.0 mW cm−2, respectively. This work offers an approach to designing more efficient electrocatalysts and further understanding spintronic oxygen electrocatalysis.
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