ArticleACS physical chemistry Au2023
Steering Selectivity in the Four-Electron and Two-Electron Oxygen Reduction Reactions: On the Importance of the Volcano Slope.
Article in ACS physical chemistry Au, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed, 44 citations in OpenAlex.
- Escaping the Scaling Relationships in Oxygen Reduction Catalysis: Implications for PEM Fuel Cells.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Local Activity and Selectivity Hotspots in Cu-Pt Model Thin-Film Electrocatalysts for Oxygen Reduction.Small methods · 2026Article
- Modulation of Electronic Structure in Kraft Lignin-Derived Mo Single-Atom Catalysts for Optimized Electrochemical Oxygen Reduction.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Intermetallic Platinum-Calcium Alloy Breaks the Activity-Stability Trade-Off in Fuel Cell for Enhanced Performance.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Atomistic Electrocatalysts for Modulating the Oxygen Reduction Reaction Selectivity in Carbon-Based Materials: Active-Site Engineering, Local Environment, and Magnetism.ACS materials Au · 2025Review
- Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom Catalysts.ACS applied materials & interfaces · 2025Article
- Design Criteria for Active and Selective Catalysts in the Nitrogen Oxidation Reaction.ACS physical chemistry Au · 2025Article
- Steering acidic oxygen reduction selectivity of single-atom catalysts through the second sphere effect.Nature communications · 2024Article
- Why efficient bifunctional hydrogen electrocatalysis requires a change in the reaction mechanism.iScience · 2024Article
- Importance of the Walden Inversion for the Activity Volcano Plot of Oxygen Evolution.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
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1 author at 1 institution in 1 country.
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Abstract
In the last decade, trends for competing electrocatalytic processes have been largely captured by volcano plots, which can be constructed by the analysis of adsorption free energies as derived from electronic structure theory in the density functional theory approximation. One prototypical example refers to the four-electron and two-electron oxygen reduction reactions (ORRs), resulting in the formation of water and hydrogen peroxide, respectively. The conventional thermodynamic volcano curve illustrates that the four-electron and two-electron ORRs reveal the same slopes at the volcano legs. This finding is related to two facts, namely, that only a single mechanistic description is considered in the model, and electrocatalytic activity is assessed by the concept of the limiting potential, a simple thermodynamic descriptor evaluated at the equilibrium potential. In the present contribution, the selectivity challenge of the four-electron and two-electron ORRs is analyzed, thereby accounting for two major expansions. First, different reaction mechanisms are included into the analysis, and second,
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