Funding from the Research Ireland
MEM-E-TECH (2025-2029)
NOx exhaust from combustion engines of vehicles is typically converted with CO and O2 in a three-way catalytic converter, however, heavy-duty diesel engines require an additional after-combustion catalytic DENOX-protocol based upon an aqueous urea solution. To be less reliant on this substance requires innovative technologies.
Herein, computational catalyst screening and reaction mechanism studies will be crucial for building multiscale models that can guide the experimental design of materials and electrocatalysts for disruptive DENOx-technologies. Model predictions will be made for flow cells and stand-alone NOx electrolyzers, to optimize material composition for the cathode and membrane towards high faradaic efficiencies.