Deoxygenation of Lignin-Derived Monomeric Compounds: Computational and Experimental Results

We use computational modeling and experimental approaches to understand adsorption and deoxygenation reactions of biomass oxygenates on catalyst surfaces. Without catalyst, the reaction barriers for deoxygenation of lignin-derived monomeric compounds are high. Doping the catalyst affects the adsorption mode and potentially the reaction pathways.