Mechanistic Study of the Direct Hydrodeoxygenation of m -Cresol over WOx-Decorated Pt/C Catalysts

Cong Wang, Alexander V. Mironenko, Abhishek Raizada, Tianqi Chen, Xinyu Mao, Ashwin Padmanabhan, Dionisios G. Vlachos, Raymond J. Gorte, John M. Vohs

Research output: Contribution to journalArticlepeer-review


Hydrodeoxygenation (HDO) of m-cresol to produce toluene over carbon-supported Pt and Pt-WOx catalysts was studied. In stark contrast to Pt/C that exhibits only modest selectivity and low stability for this reaction, Pt-WOx/C was found to be unusually active and selective to toluene with greater than 94% selectivity to this product while exhibiting little to no deactivation under a wide range of reaction conditions. Reactivity studies in combination with density functional theory (DFT) calculations for the adsorption and reaction of m-cresol on structurally optimized WOx-decorated Pt(111) structures indicate that the HDO reaction on Pt-WOx/C proceeds via a direct hydrogenolysis of the C-O bond in m-cresol adsorbed on oxygen vacancy (or redox) sites on WOx species. The DFT results also indicate that Pt helps stabilize the WOx film while facilitating oxygen vacancy formation.

Original languageEnglish (US)
Pages (from-to)7749-7759
Number of pages11
JournalACS Catalysis
Issue number9
StatePublished - Sep 7 2018
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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