Metal-Coordination Effects on the Stability and ORR/OER Activity of Layered Organometallic Single-Atom Catalysts: A Theoretical Study

Organometallic layered materials have emerged as promising single-atom catalysts for oxygen reduction and evolution reactions, but their practical use has been limited by insufficient electrochemical stability.

Organometallic layered materials have emerged as promising single-atom catalysts for oxygen reduction and evolution reactions, but their practical use has been limited by insufficient electrochemical stability. Here, we present a density functional theory study clarifying the…