Catalytic reduction of pyrolyzed biomass is required to remove oxygen and produce transportation fuels, but limited knowledge of how hydrodeoxygenation (HDO) catalysts work stymies the rational design of more efficient and stable catalysts, which in turn limits biofuels deployment. Results from a study utilizing both isotopically-labeled phenol (which models the most recalcitrant components of biofuels) with D2O and DFT calculations provide insight into the mechanism of the highly efficient HDO catalyst, Ru/TiO2. We propose that catalytic activity takes place at interface sites between Ru nanoparticles and the TiO2 support and that water serves as a co-catalyst in directing the reaction towards the direct deoxygenation pathway in which the phenolic OH is replaced directly with H to form benzene. We also propose that it is the amphoteric nature of TiO2 that facilitates H2 heterolysis to generate an active site water molecule promoting the catalytic C-O bond scission of phenol.

New ideas for hydrogen-efficient direct deoxygenation catalysts

251st National Meeting (2016)

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