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  1. New convenient wet chemistry synthetic routes have made it possible to explore catalytic activities of a variety of single supported atoms. The majority of single supported atoms have been synthesized on active supports which participate in oxidation reactions. The single supported atoms on inert substrates (e.g. alumina) are limited to Pt adatoms and Pd cations, and are generally active toward CO oxidation. In this manuscript, we show that single Pd atoms on -alumina show high CO oxidation activity; however, they exhibit no detectable NO oxidation under our experimental conditions. This led us to employ first principles modeling to explore multiplemore » Langmuir-Hinshelwood-type pathways to explain high CO oxidation activity but lack of NO oxidation activity. For completeness, we have also examined Eley-Riedel pathways. We find that a pathway that involves carbonate or nitrate as an intermediate can explain the experimental results of CO and NO oxidation on single alumina supported Pd cations.« less
  2. Here, the impetus to explore biomass derived chemicals arises from a desire to enable renewable and sustainable commodity chemicals. To this end, we report catalytic production of propene, a building-block molecule, from 1-propanol. We found that zeolite catalysts are quite versatile and can produce propene at or below 230 C with high selectivity. Increasing the reaction temperature above 230 C shifted product selectivity towards C4+ hydrocarbons. Cu-ZSM-5 was found to exhibit a broader temperature window for high propene selectivity and could function at higher 1-propanol space velocities than H-ZSM-5. A series of experiments with 1-propan(ol-D) showed deuterium incorporation in themore » hydrocarbon product stream including propene suggesting that hydrocarbon pool type pathway might be operational concurrent with dehydration to produce C4+ hydrocarbons. Diffuse reflectance infra-red spectroscopy of 1-propanol and 1-propan(ol-D) over Cu-ZSM-5 in combination with deuterium labeling experiments suggest that deuterium incorporation occurs in two steps. Incorporation of deuterium occurs post dehydration via exchange with the partially deuterated catalyst surface.« less

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