Abstract
A brief literature review of recent experimental and computational efforts on the use of high entropy alloys (HEAs) as catalysts is presented, while also sharing some perspectives and future insights. To fully broach the vast compositional possibilities of HEA materials, integrating computational modeling with high-throughput experimental synthesis and validation is necessary to accelerate their design and development. Once identified, specific HEAs can be a class of materials for the next generation of catalysts when addressing global challenges related to energy independence, commodity chemical production, environmental remediation, abating emissions, and modernized domestic supply chain resilience.
| Original language | English |
|---|---|
| Article number | 139114 |
| Journal | Materials Letters |
| Volume | 400 |
| Early online date | Jul 17 2025 |
| DOIs | |
| State | Published - Dec 1 2025 |
Keywords
- Catalysis
- DFT
- HEAs
- Materials discovery
- Synthesis
INL Publication Number
- INL/JOU-25-84730
- 199128
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