Executive Summary : | The study in "ACS Applied Energy Materials" explores the role of metal ions and key parameters affecting oxygen reduction reactions. It reveals that an appropriate balance between the amount of adsorbed O2, the availability of catalytic active sites, and the potency of these sites determines overall catalytic performance. These factors can influence whether the reaction follows a two-electron or a four-electron ORR mechanism. The study also highlights the synergistic effect of Co+3 and Fe+3 on oxygen reduction reactions. Cobalt increases accessibility to close-by Fe+3 sites, which follow a 4 electron pathway. The researchers plan to develop single/cluster metal atom-based catalyst hybrids, where individual atoms are homogeneously dispersed in a second matrix phase via steady host-guest interactions. The primary objective is to maximize catalytic activity and durability on 2-D matrixes. The selection of atoms/clusters will be based on theoretical enhancement. A detailed study of properties, including composition, size, distribution, geometry, and valence state, will be performed. The study will use MOF-derived single atom embedded 2-D carbon matrix and single atom embedded MXenes with metal vacancies for ORR/OER applications. The synthesis of a Metal-organic framework-derived single or dual atom catalyst with M-Nx/M-Cx functionalities will be carried out to enhance OER and ORR simultaneously. The zn-based battery will be fabricated to check the applicability of the synthesized materials. |