ArticleJournal of the American Chemical Society2024
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization.
Article in Journal of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
What it found
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Who cites it
22 citing papers in PubMed.
- A scanning flow cell approach for generation of electrocatalyst material librariesJournal of materials chemistry. A · 2026Article
- From Experiment-Driven to Theory- and Data-Driven: A Computational Paradigm Shift in High-Entropy Electrocatalyst Design.Advanced materials (Deerfield Beach, Fla.) · 2026Review
- On-chip electrocatalytic microcells for high-throughput experimentation of electrocatalysts.iScience · 2026Review
- Synthesis and Regulation Mechanism of High Entropy Layered Double Hydroxide Electrocatalyst.Small (Weinheim an der Bergstrasse, 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
- High-Entropy Alloy Nanocrystals: From Synthesis to Characterization and Catalytic Application.Chemical reviews · 2026Review
- Unveiling the correlation between high-entropy alloy element systems and electrocatalytic activity.National science review · 2026Article
- Grain-Size-Dependent Hydrogen Evolution and Oxygen Evolution Reaction Behavior of a Non-Equiatomic FeMaterials (Basel, Switzerland) · 2026Article
- The Remarkable Rise in High-Entropy Catalysts: A New Paradigm for Sustainable Hydrogen Production.Nanomaterials (Basel, Switzerland) · 2026Review
- Bringing Order to Chaos in High-Entropy Electrocatalysts.ACS energy letters · 2026Review
- Decoding active sites in high-entropy catalysts via attention-enhanced model.Science advances · 2026Article
- Unraveling the Mixing Entropy-Activity Relationship in High Entropy Alloy Catalysts: The More, The Better?Journal of the American Chemical Society · 2026Review
- Non-Equilibrium Synthesis Methods to Create Metastable and High-Entropy Nanomaterials.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Review
- Machine learning approaches for electrocatalyst design in water splitting: a review for green hydrogen production.Frontiers in chemistry · 2026Review
- Machine Learning-Accelerated Discovery of Earth-Abundant Bimetallic Electrocatalysts for the Hydrogen Evolution Reaction.ACS catalysis · 2025Article
- High entropy alloys for advanced electrocatalysis with computational insights and multidisciplinary design strategies.iScience · 2025Review
- Resolving chemical-motif similarity with enhanced atomic structure representations for accurately predicting descriptors at metallic interfaces.Nature communications · 2025Article
- High-entropy nanomaterials by candlelight.Nature chemistry · 2025Article
- Developing machine learning for heterogeneous catalysis with experimental and computational data.Nature reviews. Chemistry · 2025Review
- High-Entropy Alloys and Their Derived Compounds as Electrocatalysts: Understanding, Preparation and Application.Materials (Basel, Switzerland) · 2025Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
High entropy alloys (HEAs) are a highly promising class of materials for electrocatalysis as their unique active site distributions break the scaling relations that limit the activity of conventional transition metal catalysts. Existing Bayesian optimization (BO)-based virtual screening approaches focus on catalytic activity as the sole objective and correspondingly tend to identify promising materials that are unlikely to be entropically stabilized. Here, we overcome this limitation with a multiobjective BO framework for HEAs that simultaneously targets activity, cost-effectiveness, and entropic stabilization. With diversity-guided batch selection further boosting its data efficiency, the framework readily identifies numerous promising candidates for the oxygen reduction reaction that strike the balance between all three objectives in hitherto unchartered HEA design spaces comprising up to 10 elements.
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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.