DFT Study of Acetaldehyde Hydrodeoxygenation Mechanisms on Ru and RuO2 Catalysts

The hydrodeoxygenation of acetaldehyde, a surrogate molecule for the over 400 oxygenated species in biomass-derived pyrolysis oil, was studied over the Ru(0001) and RuO₂(110) using Density Functional Theory. On the partially reduced oxide surface acetaldehyde selectively reacts to ethylene, while metallic Ru favors the unwanted formation of CO and CH₄.