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The discovery of efficient and stable electrocatalysts for the oxygen evolution reaction (OER) in acidic conditions is crucial for the commercialization of proton-exchange membrane water electrolyzers. In this work, we propose a Sr(OH)-assisted method to fabricate a (200) facet highly exposed strontium-doped IrO catalyst to provide available adjacent iridium sites with lower Ir-O covalency. This design facilitates direct O-O coupling during the acidic water oxidation process, thereby circumventing the high energy barrier associated with the generation of *OOH intermediates. Benefiting from this advantage, the resulting Sr-IrO catalyst exhibits an impressive overpotential of 207 mV at a current density of 10 mA cm in 0.5 M HSO. Furthermore, a PEMWE device utilizing Sr-IrO as the anodic catalyst demonstrates a cell voltage of 1.72 V at 1 A cm and maintains excellent stability for over 500 hours. Our work not only provides guidance for the design of improved acidic OER catalysts but also encourages the development of iridium-based electrocatalysts with novel mechanisms for other electrocatalytic reactions.
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http://dx.doi.org/10.1002/anie.202418456 | DOI Listing |
J Am Chem Soc
September 2025
Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) State Key Laboratory of Advanced Chemical Power Sources, College of Chemistry, Nankai University, Tianjin 300071, China.
Developing cost-effective spinel oxide catalysts with both high oxygen evolution reaction (OER) activity and stability is crucial for advancing sustainable clean energy conversion. However, practical applications are often hindered by the activity limitations inherent in the adsorbate evolution mechanism (AEM) and the stability limitations associated with the lattice oxygen mechanism (LOM). Herein, we demonstrate structural changes induced by phase transformation in CoMn spinel oxides, which yield more active octahedral sites with shortened intersite distance.
View Article and Find Full Text PDFChemistry
September 2025
Department of Molecular Theory and Spectroscopy, Max-Planck-Institut für Kohlenforschung, 45470, Mülheim an der Ruhr, Germany.
In this study, we seek to deepen the understanding of the Fe effect in Ni-oxyhydroxide-mediated oxygen evolution reaction (OER) electrocatalysis in alkaline conditions, where extremely small amounts of Fe can have a dramatic impact on catalytic performance. For this purpose, Density Functional Theory (DFT) electronic structure calculations with implicit solvation description is employed in a constant pH/potential simulation framework. Nanoparticle models are considered for the nickel-based oxyhydroxide material with different degrees of Fe incorporation, and the pH/U-dependent interface structure is studied.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
School of Environmental Engineering, Henan University of Technology, Zhengzhou, Henan 450001, China.
Hydroxymethyl-methyl-α-lactone (HMML) is a key epoxide precursor in forming tracer compounds 2-methylglyceric acid (2-MG) or 2-methylglyceric acid sulfate (2-MGOS) from isoprene under high-NOx conditions. Despite its importance, the formation and transformation of HMML─particularly under acidic aerosol conditions─are still poorly understood, limiting comprehensive knowledge of secondary organic aerosol (SOA) formation. In this study, quantum chemical calculations, Born-Oppenheimer molecular dynamics (BOMD), and metadynamics (MTD) simulations are employed to investigate both the formation of HMML from methacryloyl peroxynitrate (MPAN) and its interfacial transformation mechanisms on sulfuric acid aerosols.
View Article and Find Full Text PDFDalton Trans
September 2025
Department of Chemistry, Jadavpur University, Kolkata-700032, India.
A series of homometallic tetranuclear Ln complexes, [Ln(μ-OH){pyC(OH)O}(OCCMe)] [{pyC(OH)O} = monoanionic -diol form of di-2-pyridyl ketone; Ln = Nd (1), Eu (2), Tb (3), Dy (4), Er (5) and Yb (6)], have been synthesized and characterized. The asymmetric unit of each of the tetranuclear derivatives comprises the dinuclear motif, [Ln(μ-OH){pyC(OH)O}(OCCMe)]. The core structure of this Ln family possesses two homometallic structural subunits, LnIII3O, which are further connected through the bridging μ-OH ligands.
View Article and Find Full Text PDFChempluschem
September 2025
Departamento de Química, Universidade Federal do Paraná, Centro Politécnico, Jardim das Américas, 81530-900, Curitiba, PR, Brazil.
The peroxidovanadium(V) complex [VO(O)(HO)(bpy)]·3HO·0.5bpy (1), where bpy = 2,2'-bypiridine, featuring η-coordinated peroxide and hydroperoxide ligands, is reported as an efficient functional model of vanadium haloperoxidases (VHPOs). Structural and spectroscopic analyses indicate similarities between 1 and VHPO active sites, including peroxide ligand protonation.
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