Biomimetic Mg/Zn-based zeolitic-imidazole frameworks for zinc-air batteries: Disclosing the role of defective imidazole-Mg sites in the electrocatalytic performance

The present dataset includes the complete experimental characterization of different Mg-doped ZIF-8, varying not only Mg/Zn ratio but also particle-size, using the following techniques: DLS, PXRD, ICP-OES, N2 adsorption-desorption isotherms, XPS, SEM and TEM. In addition, typical ORR electrochemical analysis under static and dynamic conditions (RDE and RRDE) as well as DFT calculations of the free energy adsorptions of the different adsorbates involved in the ORR mechanism and on the surface of the synthesized materials are included. Finally, the analysis of the best material in a real device, such as a zinc-air battery, is provided.