Cobalt-modified molybdenum carbide as a selective catalyst for hydrodeoxygenation of furfural
- Columbia Univ., New York, NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Columbia Univ., New York, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
The hydrodeoxygenation (HDO) reaction is crucial to the upgrading of biomass-derived furfural to produce a promising fuel additive, 2-methylfuran. In order to enhance the stability of the molybdenum carbide (Mo2C) catalyst, this work utilizes cobalt (Co) modification to tune the oxygen and furfural binding energies on Mo2C. Density functional theory (DFT) calculations of the adsorption configuration of furfural on Mo2C(0001) and cobalt-modified molybdenum carbide (Co/Mo2C(0001)) reveal that the C=O bond of furfural is elongated, facilitating the selective C=O scission to produce 2-methylfuran. The reduced oxygen and furfural binding energies on Co/Mo2C(0001) allow the facile removal of surface oxygen and furfural to improve the stability of the catalyst. Temperature-programmed desorption (TPD) experiments on model surfaces confirm the enhanced stability and overall HDO performance of Co/Mo2C/Mo(110). Based on the results from high-resolution electron energy loss spectroscopy (HREELS), 2-methylfuran-like intermediates are observed on both Mo2C/Mo(110) and Co/Mo2C/Mo(110). Parallel reactor evaluations over the corresponding powder catalysts further demonstrate the enhanced stability of Co/Mo2C over Mo2C at ambient pressure. Furthermore, this work illustrates the important roles of oxygen and furfural binding energies in the furfural HDO reaction on both model surfaces and powder catalysts, which in turn provides insights into designing selective and stable carbide-based catalysts for HDO reactions.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0012704; AC02-05CH11231
- OSTI ID:
- 1462482
- Alternate ID(s):
- OSTI ID: 1703716
- Report Number(s):
- BNL-207917-2018-JAAM
- Journal Information:
- Applied Catalysis B: Environmental, Vol. 233, Issue C; ISSN 0926-3373
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Vibrational Spectroscopic Characterization of Glycerol Reaction Pathways over Metal‐Modified Molybdenum Carbide Surfaces
|
journal | October 2019 |
Catalyst-free synthesis of biodiesel precursors from biomass-based furfuryl alcohols in the presence of H 2 O and air
|
journal | January 2019 |
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