High Entropy Alloys for Highly Efficient Catalytic Applications
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Catalytic Materials".
Deadline for manuscript submissions: 20 December 2025 | Viewed by 21
Special Issue Editors
Interests: theoretical catalysis; first principles calculation; machine learning; electrocatalysis
Interests: preparation, characterization and catalytic activity of metal-supported catalysts; surface properties of solids; pollutants adsorption; environmental management; industrial waste valorization
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
High entropy alloys (HEAs), composed of five or more principal elements in near-equimolar ratios, have emerged as a groundbreaking class of materials due to their unique structural and electronic properties. Their high configurational entropy stabilizes disordered solid solutions, enabling exceptional thermal stability, mechanical durability, and tunable surface reactivity. These attributes position HEAs as promising candidates for catalytic applications, addressing critical challenges in energy conversion, environmental remediation, and sustainable chemical synthesis. HEAs offer a sustainable alternative by combining abundant elements and tailoring active sites through compositional diversity.
This collection aims to explore the design, synthesis, and mechanistic understanding of HEAs for catalysis. Key focus areas include the following:
- Catalytic Performance: Applications in hydrogen (HER), oxygen evolution/oxygen reduction (OER/ORR), CO2 reduction, and hydrocarbon conversion.
- Structure–Property Relationships: Linking atomic-scale configurations to catalytic activity and selectivity.
- Scalability and Stability: Strategies for synthesizing HEAs via scalable methods and ensuring durability under harsh operational conditions.
Authors are encouraged to submit interdisciplinary studies integrating computational modeling, advanced characterization (e.g., in situ spectroscopy), and real-world performance evaluations. This initiative seeks to advance HEAs as next-generation catalysts, driving innovation in renewable energy and green chemistry.
Dr. Mao Peng
Prof. Dr. Antonio Gil Bravo
Guest Editors
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Keywords
- high entropy alloys
- electrocatalysis
- reaction mechanism
- catalyst design
- molecular simulation
- high throughput computing
- machine learning
- interdisciplinary studies
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