Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies

Liang, Caiwu; Verga, Lucas G.; Moss, Benjamin; Kumar, Santosh; Scott, Soren; Turner, Mark A.; Ferrer, Pilar; Celorrio, Verónica; Grinter, Dave C.; Tao, Yemin; Halder, Sid; Wang, Yifeng; Tseng, Cindy; Yang, Guangmeimei; Held, Georg; Haigh, Sarah J.; Walsh, A. T.; Stephens, Ifan E. L.; Durrant, James R.; Rao, Reshma R.

doi:10.1038/s41563-026-02514-9

articleNature MaterialsFeb 26, 2026HYBRID OA

Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies

CLCaiwu Liang LGLucas G. Verga BMBenjamin Moss SKSantosh Kumar SSSoren Scott

Imperial College London · California Institute of Technology · +4 more institutions

PubMed

Indexed incrossrefpubmed

Abstract

Abstract Oxidation states underpin the understanding of active states, reaction mechanisms and catalytic performance of electrocatalysts. However, determining them at complex solid–liquid interfaces is challenging. Here we use multimodal spectroscopy to investigate polarized iridium oxide (IrO x ) electrodes, a model water oxidation catalyst, to identify potential-dependent iridium and oxygen oxidation states. By integrating multiple operando spectroscopies (optical (ultraviolet–visible), Ir L-edge and O K-edge X-ray absorption spectroscopy) with electrochemistry mass spectrometry and density functional theory calculations, we identify the sequential depletion of electron densities from the Ir5 d band…

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Topics & keywords

Topics

Keywords

Iridium
Oxygen evolution
Oxidizing agent
Oxidation state
Catalysis
Density functional theory
Oxide
Oxygen

UN Sustainable Development Goals

Clean water and sanitation

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