ArticleNature communications2019
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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Who cites it
44 citing papers in PubMed.
- Reasoning-Driven Design of Single-Atom Catalysts via a Multiagent Large Language Model Framework.ACS central science · 2026Article
- Strategies Enhancing the Efficiency of CoFe-Based Electrocatalysts for Oxygen Evolution Reaction in Alkaline.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Review
- Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening Transition Metal-Doped CoAngewandte Chemie (International ed. in English) · 2026Article
- Decoupling electron transfer defines a quantitative kinetic framework for oxygen evolution catalysis.Nature communications · 2026Article
- Cobalt polyoxometalate-LDH hybrids: pH-switchable molecular catalysts to confined cobalt oxide oxygen evolution layers.Chemical communications (Cambridge, England) · 2026Article
- The Role of Local pH in Electrocatalysis: Measurement, Impact, and Control Strategies.ACS electrochemistry · 2026Review
- Elucidating the Role of Alkali-Metal Cations in Nickel Oxide OER Catalysts Under Mild pH Conditions by Operando X-Ray Absorption Spectroscopy.ChemSusChem · 2026Article
- Transforming Adsorption-Energy Linear Correlations via Rescaling and Segmentation.ACS catalysis · 2026Article
- Recent advances in TiNanoscale advances · 2026Review
- Rational design of CiScience · 2026Review
- Machine-learning-guided tungsten single atoms promote oxyhydroxides for noble-metal-free water electrolysis.Nature communications · 2026Article
- Finding Catalyst Design Principles for Oxygen Evolution using High-Throughput Optimizations and Electrochemical Symmetry.ChemSusChem · 2025Article
- Oxygen evolution reaction on IrONature communications · 2025Article
- Water Dissociation on NiOOH in Alkaline Water Electrolysis Improves with Increasing Alkali Metal Cation Size.ChemSusChem · 2025Article
- Oxidation of interfacial cobalt controls the pH dependence of the oxygen evolution reaction.Nature chemistry · 2025Article
- Uncovering Interfacial Oxygen-Bridged Binuclear Metal Centers of Heterogenized Molecular Catalyst for Water Electrolysis.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic Data.ACS catalysis · 2025Article
- Fe doping intensifies the built-in electric field for tailoring the reconstruction of sulfides towards efficient oxygen evolution.Chemical science · 2025Article
- Elucidation of the Activity and pH Stability Limits of Polyoxometalate-Intercalated Layered Double Hydroxide Nanocomposites toward Water Oxidation Catalysis.Inorganic chemistry · 2025Article
- A Novel Banana-Shaped Mixed-Metal Co/Fe Polyoxometalate Cluster.ChemPlusChem · 2025Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A major roadblock in realizing large-scale production of hydrogen via electrochemical water splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction (OER). Computational research has driven important developments in understanding and designing heterogeneous OER catalysts using linear scaling relationships derived from computed binding energies. Herein, we interrogate 17 of the most active molecular OER catalysts, based on different transition metals (Ru, Mn, Fe, Co, Ni, and Cu), and show they obey similar scaling relations to those established for heterogeneous systems. However, we find that the conventional OER descriptor underestimates the activity for very active OER complexes as the standard approach neglects a crucial one-electron oxidation that many molecular catalysts undergo prior to O-O bond formation. Importantly, this additional step allows certain molecular catalysts to circumvent the "overpotential wall", leading to enhanced performance. With this knowledge, we establish fundamental principles for the design of ideal molecular OER catalysts.
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