Yue Wang, Jianhua Wang, Xueting Feng, Guanzhen Chen, Xusheng Wang, Tao Gan, Xing Fan, Haiping Lin, Yunhu Han
combination. Density functional theory (DFT) calculations elucidate that the Fe-Ni dual sites synergistically lower the adsorption energy of the critical *OOH intermediate, thereby reducing the overall energy barriers for both ORR and OER pathways. This density difference-assisted method also works for other MOFs like UiO-66 and HKUST-1, enabling diverse high-performance carbon-supported catalysts.