硕士生黄泓瑞论文“Bimetal organic framework derived CoM@N–C composites as bifunctional oxygen catalysts for Zn-air batteries”被Materials Today Energy接收发表
发布时间：2024-04-28
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Metal-loaded nitrogen-doped carbon (M@NeC) catalysts have shown promise as electrocatalysts for replacing noble metal catalysts in industrial processes. To study the influence on structural and performance caused by different bimetal doping, a family of bimetals CoM@NeC (M¼ Cu/Ni/Fe) composites with porous surface and abundant C defects were well-designed. After bimetallic doping, more defects are introduced into the carbon frameworks, and the metal-N species are fixed. As such, efficient utilization of active sites and rapid mass transfer make the reaction kinetics process more favorable and stable. Density functional theory calculations indicate that Cu/Ni doping optimizes the electronic environment of the CoeN, resulting in the balanced adsorption and dissociation of oxygen intermediates. While the synergy of FeCo activates the O¼O, which promotes the sharp decrease in free energy of *OOH to *O, shifting the rate-determining step for oxygen reduction reaction. This indicates the adsorption site transfer of CoFe0.05@NeC in oxygen reduction and evolution reactions. The CoFe0.05@NeC catalyst exhibits superior bifunctional catalytic activity (with a potential gap of 0.80 V) than that of Pt catalysts. This work presents a simple strategy to fabricate well-defined bimetals doping in bifunctional oxygen electrocatalysts and it is expected to inspire future work on the role of electronic structure modulation and interface engineering.