Confinement Accelerates Water Oxidation Catalysis: Evidence from In Situ Studies
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Updated: Jul 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Kassa Belay Ibrahim1,2,3, Tofik Ahmed Shifa1, Matteo Bordin1
1Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venice, Mestre, 30170, Italy.
Abstract:
Basic insight into the structural evolution of electrocatalysts under operating conditions is of substantial importance for designing water oxidation catalysts. The first-row transition metal-based catalysts present state-of-the-art oxygen evolution reaction (OER) performance under alkaline conditions. Apparently, confinement has become an exciting strategy to boost the performance of these catalysts. The van der Waals (vdW) gaps of transition metal dichalcogenides are acknowledged to serve as a suitable platform to confine the first-row transition metal catalysts. This study focuses on confining Ni(OH)2 nanoparticle in the vdW gaps of 2D exfoliated SnS2 (Ex-SnS2 ) to accelerate water oxidation and to guarantee long term durability in alkaline solutions. The trends in oxidation states of Ni are probed during OER catalysis. The in situ studies confirm that the confined system produces a favorable environment for accelerated oxygen gas evolution, whereas the un-confined system proceeds with a relatively slower kinetics. The outstanding OER activity and excellent stability, with an overpotential of 300 mV at 100 mA cm-2 and Tafel slope as low as 93 mV dec-1 results from the confinement effect. This study sheds light on the OER mechanism of confined catalysis and opens up a way to develop efficient and low-cost electrocatalysts.
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