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Trends in the Hydrodeoxygenation Activity and Selectivity of Transition Metal Surfaces

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Abstract

This paper reports the use of a combination of density functional theory and microkinetic modelling to establish trends in the hydrodeoxygenation rates and selectivites of transition metal surfaces. Biomass and biomass-derived chemicals often contain large fractions of oxygenates. Removal of the oxygen through hydrotreating represents one strategy for producing commodity chemicals from these renewable materials. Using the model developed in this paper, we predict ethylene glycol hydrodeoxygenation selectivities for transition metals that are consistent with those reported in the literature. Furthermore, the insights discussed in this paper present a framework for designing catalytic materials for facilitating these conversions efficiently.

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Acknowledgments

Support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences to the SUNCAT Center for Interface Science and Catalysis is gratefully acknowledged.

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Authors and Affiliations

  1. SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA, 94025, USA

    Adam C. Lausche, Hanne Falsig & Felix Studt

  2. Department of Chemical Engineering, Stanford University, Stanford, CA, 94305, USA

    Adam C. Lausche, Hanne Falsig & Felix Studt

  3. Department of Chemical Engineering, Technical University of Denmark, Lyngby, Denmark

    Anker D. Jensen

Authors
  1. Adam C. Lausche
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  2. Hanne Falsig
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  3. Anker D. Jensen
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  4. Felix Studt
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Corresponding author

Correspondence to Felix Studt.

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Lausche, A.C., Falsig, H., Jensen, A.D. et al. Trends in the Hydrodeoxygenation Activity and Selectivity of Transition Metal Surfaces. Catal Lett 144, 1968–1972 (2014). https://doi.org/10.1007/s10562-014-1352-z

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  • DOI: https://doi.org/10.1007/s10562-014-1352-z

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