Active Sites of Mixed-Metal Core-Shell Oxygen Evolution Reaction Catalysts: FeO₄ Sites on Ni Cores or NiN₄ Sites in C Shells?

ABSTRACT: Water electrolysis for clean hydrogen production requires high-activity, high-stability, and low-cost catalysts for its particularly sluggish half-reaction, the oxygen evolution reaction (OER). Currently, the most promising of such catalysts working in alkaline conditions is a core-shell nanostructure, NiFe@NC, whose Fe-doped Ni (NiFe) nanoparticles are encapsulated and interconnected by N-doped graphitic carbon (NC) layers, but the exact OER mechanism of these catalysts is still unclear, and even the location of the OER active site, either on the core side or on the shell side, is still debated. Therefore, we herein derive a plausible active-site model for each side based on various experimental evidence and density functional theory calculations and then build OER free-energy diagrams on

SUBMITTER: Lim SS 

PROVIDER: S-EPMC11190911 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature