Funding from TBA
DREAMER (?-?)
N2 electrolyzers developments still require substantial technological material innovations, both in terms of electrocatalyst development and membrane engineering. 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 N2-technologies. Model predictions will be made for flow cells and stand-alone N2-to-NH3 electrolyzers, to optimize material composition for the cathode and membrane towards high faradaic efficiencies.