Nature of the Active Center for the Oxygen Reduction on Ag-Based Single-Atom Alloy Clusters.

ABSTRACT: The development of alternative alloy catalysts with high activity, surpassing platinum group metals, for the oxygen reduction reaction (ORR) is urgently needed in the field of electrocatalysis. The Ag-based single-atom alloy (AgSAA) cluster has been proposed as a promising catalyst for the ORR; however, enhancing its activity under operational conditions remains challenging due to limited insights into its actual active site. Here, we demonstrate that the operando formation of the MO _x (OH) _y complex serves as the key active site for catalyzing the ORR over AgSAA cluster catalysts, as revealed through comprehensive neural network potential molecular dynamics simulations combined with first-principles calculations. The volcano plot of the ORR over the MO

SUBMITTER: Pu Y 

PROVIDER: S-EPMC11350582 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature