4.6 Article

Elucidating the Role of Ni(Pd) in Ni(Pd)-Mo2C/Carbon Catalysts for the Hydrodeoxygenation of Dibenzofuran and Bio-Oil

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AMER CHEMICAL SOC
DOI: 10.1021/acs.iecr.2c02224

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  1. Korea Institute of Science and Technology Institutional Program [2E31853, 2E31792]
  2. Talent Introduction Program of Postdoctoral International Exchange Program [YJ20210238]
  3. Natural Sciences and Engineering Research Council of Canada (NSERC)
  4. Korea Institute of Science and Technology (KIST)-UBC Biorefinery on-site laboratory program

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In this study, Mo2C catalysts promoted with Ni or Pd on activated biochar were synthesized and evaluated for the hydrodeoxygenation of dibenzofuran (DBF) as a model bio-oil reactant. It was found that Ni and Pd improved the activity of the catalysts and changed the selectivity, which was correlated with the oxidation degree on the catalyst surface.
Mo2C catalysts (10 wt %) promoted with Ni or Pd (1 wt %) and supported on activated biochar were synthesized by carbothermal hydrogen reduction and assessed for the hydrodeoxygenation (HDO) of dibenzofuran (DBF) as a model bio-oil reactant. Ni and Pd improved the activity of the Mo2C/ABC catalyst and shifted selectivity from direct deoxygenation products to hydrogenated products. The results correlated with an increased hydrogenation of O species adsorbed on the passivated catalysts at low temperature, indicative of a decrease in oxidation of the Mo2C and confirmed by X-ray photoelectron spectroscopy and temperature programmed oxidation-reduction analysis. Density functional theory calculations showed the increased horizontal adsorption of DBF and a reduced energy barrier for dissociative H2 adsorption on the Ni(Pd)-promoted Mo2C surface. The high hydrogenation activity of the Ni-and Pd-Mo2C catalysts was also apparent during the HDO of an esterified bio-oil, significantly decreasing coke yield together with the phenol and ester content and the O/C ratio of the hydrotreated bio-oil.

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