Unravelling the effects of active site density and energetics on the water oxidation activity of iridium oxides

Liang, Caiwu; Rao, Reshma R.; Svane, Katrine L.; Hadden, Joseph H. L.; Moss, Benjamin; Scott, Søren B.; Sachs, Michael; Murawski, James; Frandsen, Adrian; Riley, D. Jason; Ryan, Mary P.; Rossmeisl, Jan; Durrant, James R.; Stephens, Ifan E. L.

doi:10.1038/s41929-024-01168-7

articleNature CatalysisJun 7, 2024HYBRID OA

Unravelling the effects of active site density and energetics on the water oxidation activity of iridium oxides

CLCaiwu Liang RRReshma R. Rao KLKatrine L. Svane JHJoseph H. L. Hadden BMBenjamin Moss

Imperial College London · University of Copenhagen · +3 more institutions

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Abstract

Abstract Understanding what controls the reaction rate on iridium-based catalysts is central to designing better electrocatalysts for the water oxidation reaction in proton exchange membrane electrolysers. Here we quantify the densities of redox-active centres and probe their binding strengths on amorphous IrO x and rutile IrO 2 using operando time-resolved optical spectroscopy. We establish a quantitative experimental correlation between the intrinsic reaction rate and the active-state energetics. We find that adsorbed oxygen species, *O, formed at water oxidation potentials, exhibit repulsive adsorbate–adsorbate interactions. Increasing their coverage weakens their binding, thereby promoting O–O bond…

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164

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Topics & keywords

Topics

Keywords

Energetics
Iridium
Chemistry
Active site
Density functional theory
Environmental chemistry
Computational chemistry
Ecology

UN Sustainable Development Goals

Clean water and sanitation

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