Ab Initio Molecular Dynamics Simulation of Co-N-C Single-Atom Catalysts at the Electrolyte Interface for Oxygen Reduction Reaction
Nonaqueous lithium-oxygen batteries (LOBs) have significant application potential due to their extremely high theoretical energy density, but the role of the electrolyte in regulating the reaction kinetics during the oxygen reduction reaction (ORR) remains unclear. Here, we systematically investigate the ORR pathways at the electrolyte interface with Co-N-C single-atom catalysts (SACs) using ab initio molecular … Read more