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

In this report 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 wi...

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Bibliographic Details
Published in:ACS catalysis 2018-07, Vol.8 (9)
Main Authors: Wang, Cong, Mironenko, Alexander V., Raizada, Abhishek, Chen, Tianqi, Mao, Xinyu, Padmanabhan, Ashwin, Vlachos, Dionisios G., Gorte, Raymond J., Vohs, John M.
Format: Article
Language:English
Subjects:
density functional theory
hydrodeoxygenation
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
lignin
m-cresol
Pt-WOx/C catalyst
toluene
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Summary:In this report 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.
ISSN:2155-5435
2155-5435
DOI:10.1021/acscatal.8b01746