Mo2C Modification by CO2, H2O, and O2: Effects of Oxygen Content and Oxygen Source on Rates and Selectivity of m-Cresol Hydrodeoxygenation

Cha Jung Chen, Aditya Bhan

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34 Scopus citations


Vapor-phase m-cresol hydrodeoxygenation rates on oxygenate-modified Mo2C catalysts prepared by pretreating fresh Mo2C catalysts in 1 kPa of O2, H2O, and CO2 at 333 K showed that (i) molecular oxygen has a higher propensity to deposit oxygen (O/Mobulk before HDO = 0.23 ± 0.02) on fresh Mo2C, compared to CO2 and H2O (O/Mobulk before HDO ≠0.036), as assessed from temperature-programmed surface reaction with H2, and (ii) oxygen adsorbed in amounts exceeding ∼0.06 ± 0.01 of O/Mobulk poisons the metal-like sites for toluene synthesis as inferred from a 10-fold decrease in toluene synthesis rate per gram on the O2-1 kPa (333 K)-Mo2C compared to that on fresh Mo2C, H2O-1 kPa (333 K)-Mo2C, and CO2-1 kPa (333 K)-Mo2C catalysts. Invariant turnover frequencies of toluene synthesis measured from in situ CO titration among the O2-, H2O-, and CO2-modified samples demonstrate that the effect of adsorbed oxygen is independent of the oxygen source.

Original languageEnglish (US)
Pages (from-to)1113-1122
Number of pages10
JournalACS Catalysis
Issue number2
StatePublished - Feb 3 2017


  • biofuels
  • hydrodeoxygenation
  • lignin
  • m-cresol
  • oxygenate-modification

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