Researchers used a high-throughput computational framework to screen 12 nickel-based ternary alloys for catalytic NOx reduction in aircraft exhaust. They identified four candidates: Ni-Co-Pd, Ni-Co-Pt, Ni-Fe-Pt, and Ni-Cr-Pt. Among these, Ni-Cr-Pt showed the best balance of predicted catalytic activity, thermodynamic stability, and material cost. The study used density functional theory and microkinetic modeling to simulate jet engine exhaust conditions at 1100 K, focusing on NO reduction using carbon monoxide as the reductant. The work is still computational. The authors did not test these alloys in real engines or model long-term effects like coking, surface segregation, or coating adhesion. Ni-Cr-Pt stood out for its weaker carbon binding and better bulk stability, which could reduce deactivation. If validated experimentally, thin catalytic coatings on turbine components could replace bulk precious metal catalysts. For now, these are promising leads that need lab and engine testing before any real world deployment.
