Crystal Engineering Enables Cobalt-Based Metal–Organic Frameworks as High-Performance Electrocatalysts for H 2 O 2 Production

Metal–organic frameworks (MOFs) with highly adjustable structures are an emerging family of electrocatalysts in two-electron oxygen reduction reaction (2e-ORR) for H2O2 production. However, the development of MOF-based 2e-ORR catalysts with high H2O2 selectivity and production rate remains challenging. Herein, an elaborate design with fine control over MOFs at both atomic and nano-scale is demonstrated, enabling the well-known Zn/Co bimetallic zeolite imidazole frameworks (ZnCo-ZIFs) as excellent 2e-ORR electrocatalysts. Experimental results combined with density functional theory simulation have shown that the atomic level control can regulate the role of water molecules participating in the ORR process, and…

• NS
  Natural Science Foundation of Shanghai

  Award: 21ZR1467800
• SS
  Shanghai Science and Technology Development Foundation

  Award: 19JC1412100
• NN
  National Natural Science Foundation of China

  Awards: 22173069, 22075085, 21905092
• CU
  Central University Basic Research Fund of China