articleJournal of the American Chemical SocietyJun 9, 2025Closed access

Axial Chlorine Engineering of p-Block Antimony Atomic Sites Boosts Oxygen Reduction

University of Science and Technology of China · Wenzhou University · +4 more institutions

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Abstract

The main-group metals characterized by closed d shells are generally regarded as catalytically inert for oxygen reduction reactions (ORR) due to the delocalized valence orbitals. Modulating the coordination environment of metal sites is critical to gaining highly active electrocatalysts for ORR. Herein, atomically dispersed Sb site catalysts were successfully constructed with SbN4–Cl configuration for highly efficient ORR. Density functional theory (DFT) calculations reveal that the introduction of an axial Cl ligand regulates the p electron structure of the Sb active center, thereby alleviating the binding energy of the HO* intermediate and lowering the energy barrier of the ORR process. Remarkably, the…

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