Imidazolium-functionalized Mo3P nanoparticles with an ionomer coating for electrocatalytic reduction of CO2 to propane

Few non-copper catalysts have been observed to produce appreciable amounts of propane-a useful fuel-by electrochemical reduction of CO2. New research shows that ionomer-coated imidazolium-functionalized Mo3P nanoparticles produce propane with high activity and selectivity. Propane is a tri-carbon (C-3) alkane widely used as a fuel. Despite recent advances in CO2 electrocatalysis, the production of C3+ molecules directly from CO2 is challenging due to high reaction barriers and competing reactions to C-1, C-2 and H-2 products. Here we report a catalytic system composed of 1-ethyl-3-methylimidazolium-functionalized Mo3P nanoparticles coated with an anion-exchange ionomer that produces propane from CO2 with a current density of -395 mA cm(-)(2) and a Faradaic efficiency of 91% at -0.8 V versus reversible hydrogen electrode over 100 h in an electrolyser. Our characterization and density functional theory calculations suggest that imidazolium functionalization improves the electrocatalytic properties of Mo atoms at the surface and favours the pathway towards propane by increasing the adsorption energies of carbon-based intermediates on the Mo sites. Our results indicate that the ionomer coating layer plays a crucial role in stabilizing the imidazolium-functionalized surface of Mo3P nanoparticles during long-term testing.

Automated summary

Research shows that ionomer-coated imidazolium-functionalized Mo3P nanoparticles produce propane with high activity and selectivity by electrochemical reduction of CO2, which is significant for achieving the direct production of C3+ molecules from CO2.