ReviewJournal of the American Chemical Society2026
Unraveling the Mixing Entropy-Activity Relationship in High Entropy Alloy Catalysts: The More, The Better?
Review in Journal of the American Chemical Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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Who cites it
7 citing papers in PubMed.
- AI-driven electrocatalysis: reinforcement learning-based control and theoretical modeling of the glycerol oxidation reaction.Energy & environmental science · 2026Article
- Boron-assisted synthesis of compositionally complex amorphous oxides via short-range-order-constrained generative design.Science advances · 2026Article
- Escaping the Scaling Relationships in Oxygen Reduction Catalysis: Implications for PEM Fuel Cells.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Probing Electrocatalyst Design for Product Selectivity in COAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Review
- Multi-Objective Catalyst Discovery in High-Entropy Alloy Composition Space: The Role of Noble Metals on the Pareto Front for Oxygen Reduction Reaction.Angewandte Chemie (International ed. in English) · 2026Article
- Synthesis and Structural Evolution of AgCuCoNiFe High-Entropy Alloy via a Precipitation-Reduction Route.Materials (Basel, Switzerland) · 2026Article
- Influence of Catalyst Composition on the Acidic Oxygen Evolution Reaction: From Single Oxide IrOMaterials (Basel, Switzerland) · 2026Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The variety of publications reporting high-entropy alloy (HEA) catalysts with exceptional activities creates a survivor bias, implying that the mixing entropy directly increases the activity. However, many screening studies show a different picture. In a multielement composition-activity space, often a low to medium entropic 2- or 3-element composition emerges as the most active catalyst. In this work, we investigate the relationship between the complexity of an alloy, which can be expressed in mixing entropy, and its maximum possible activity using theory and statistical modeling. Based on our analysis, we propose a hypothesis for the surface complexity-activity relationship of HEA catalysts. Namely, the intrinsic activity of an alloyed surface is defined by two opposing forces: positive ligand interactions that enhance the activity and the statistical dilution of active sites. As a result, the relationship between the surface complexity-activity shows qualitatively a volcano-like behavior. At first, adding elements increases the activity due to favorable ligand interactions. Yet, at some point, the catalytic benefit from increasing the complexity of the surface gets outweighed by the dilution of the catalytic sites. Correspondingly, this hypothesis states that there is an optimal ratio between the surface complexity and catalytic activity.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.