Light Inducing the Geometric Conversion of <scp>NiO<sub>6</sub></scp> to Trigger a Faster Oxygen Evolution Reaction Pathway: The Coupled Oxygen Evolution Mechanism
Hao Wang, Siyu Lu
Abstract
Developing highly active and robust oxygen evolution reaction (OER) electrocatalysts is still a critical challenge for water electrolyzers and metal–air batteries. Realizing the dynamic evolution of the intermediate and charge transfer during OER and developing a clear OER mechanism is crucial to design high‐performance OER catalysts. Recently in Nature, Xue and colleagues revealed a new OER mechanism, coupled oxygen evolution mechanism (COM), which involves a switchable metal and oxygen redox under light irradiation in nickel oxyhydroxide‐based materials. This newly developed mechanism requires a reversible geometric conversion between octahedron (NiO 6 ) and square planar (NiO 4 ) to achieve electronic states with both “metal redox” and “oxygen redox” during OER. The asymmetric structure endows NR‐NiOOH with a nonoverlapping region between the dz 2 orbitals and a 1g * bands, which facilitate the geometric conversion and enact the COM pathway. As a result, NR‐NiOOH exhibited better OER activity and stability than the traditional NiOOH.