Project

High-Entropy Alloy Catalysts for Ammonia Decomposition: A Multiscale Approach Using DFT, Machine Learning, and Electrified Rotor-Stator Reactors

Code
01SC4925
Duration
01 October 2025 → 30 September 2029
Funding
Regional and community funding: Special Research Fund
Research disciplines
  • Engineering and technology
    • Other engineering and technology not elsewhere classified
Keywords
Ammonia decomposition High-entropy alloy Production of hydrogen Machine learning
 
Project description

This research explores the development of high-entropy alloy catalysts and an innovative electrified rotor-stator reactor for efficient ammonia decomposition to hydrogen. By utilizing advanced computational tools and experimental methods, including DFT simulations and novel reactor
designs, the study aims to optimize catalytic performance, enhance hydrogen yield, and minimize by-products under various operational conditions.