Engineering O–O formation on dual-atom Fe–Mo catalysts for oxygen electrocatalysis

作者：Luoluo Qi, Yanan Tang, Tao Gan, Jingqi Guan · 发表于：Chemical Science · 年份：2025 · DOI：10.1039/d5sc07373a · 被引用次数：14 · 研究领域：Electrocatalysts for Energy Conversion、CO2 Reduction Techniques and Catalysts、Ammonia Synthesis and Nitrogen Reduction

through the Fe-Mo dual-atom sites, avoiding the limitations of the linear scaling relationship and thereby accelerating the oxygen electrocatalysis process. Density functional theory calculations reveal that the bridged oxygen adsorption mode on the Fe-Mo dual-atom sites exhibits lower energy barriers compared to that on single Fe/Mo sites, favoring the oxygen electrocatalysis.