The team used machine learning algorithms to evaluate over 3,300 bimetallic alloy catalysts, rapidly identifying six promising options, with four confirmed as highly effective through laboratory testing, outperforming traditional catalysts like ruthenium.

Researchers at Worcester Polytechnic Institute, led by Associate Professor Fanglin Che, have published a groundbreaking study in Nature Chemical Engineering demonstrating how artificial intelligence and computational modeling can optimize hydrogen fuel production while significantly reducing environmental impact.

Overall, this research exemplifies how integrating AI, computational modeling, and plasma technology can revolutionize hydrogen fuel production, making it more sustainable, affordable, and suitable for a variety of applications.

The new hydrogen production method could be more cost-effective and environmentally friendly, with the added benefit of portability via ammonia storage, enabling on-site hydrogen generation for maritime vessels and decentralized applications.

This innovative approach addresses two major challenges: increasing hydrogen production efficiency and accelerating the discovery of effective, environmentally friendly catalysts.

Traditional hydrogen production methods rely heavily on fossil fuels and costly catalysts such as ruthenium, which emit significant CO2 and require high energy inputs, making cleaner alternatives essential.

The research focuses on decomposing carbon-free ammonia into hydrogen and nitrogen, providing a cleaner alternative to conventional hydrogen production that often involves fossil fuels and high-temperature processes.

In addition to AI-driven catalyst discovery, the team proposes using plasma technology to decompose ammonia at lower temperatures, which reduces energy consumption and carbon emissions.

This plasma method employs affordable, earth-abundant metal alloys like iron-copper and nickel-molybdenum as catalysts, replacing expensive options such as ruthenium, thereby lowering costs and environmental impact.

Publishing in Nature Chemical Engineering marks a significant milestone for WPI, highlighting the university’s commitment to advancing energy-efficient and sustainable chemical processes through innovative research.

The project received support from the U.S. Department of Energy and involved collaborations with Dalian University of Technology and Northeastern University, which contributed laboratory validation and economic analyses confirming substantial cost and emission reductions.

These collaborative efforts demonstrated that plasma technology could significantly lower costs and emissions, making cleaner hydrogen production more feasible and scalable.