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            Aqueous-phase reforming of lignocellulosic biomass-derived oxygenates for the production of hydrogen and syngas is a promising strategy in the search for renewable energy resources. Because of their high functionality, decomposition chemistry of these oxygenated feeds involves multiple series and parallel pathways, and the final product distribution strongly depends on the sequence and competition of C-C, C-O, C-H, and O-H bond scissions. Understanding the mechanism and reaction pathways controlling these transformations is essential for rational catalyst design.

            Ethylene glycol (EG) is the simplest model molecule to contain all the characteristic features of biomass-derived polyols and has received significant attention in recent years. While the mechanism of vapor-phase EG reforming on Pt(111) is relatively better understood, an accurate description of the influence of an aqueous environment on reaction kinetics and equilibria remains challenging. In this study, we used density functional theory calculations coupled with an implicit solvation model to investigate the similarities and differences in EG decomposition chemistry on Pt(111) in vapor and aqueous phases. The results show that the reforming mechanism is similar in both phases with early dehydrogenation steps being rate-limiting.