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Title: A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces

Abstract

It is desirable to convert biomass-derived furfural to 2-methylfuran through the hydrodeoxygenation (HDO) reaction using an inexpensive catalyst with high stability. In this work, Mo2C was used as an alternative substrate to replace precious Pt to support monolayer Fe for the HDO reaction of furfural. The HDO activity and stability of Fe/Pt(111) and Fe/Mo2C/Mo(110) surfaces were compared. Density functional theory (DFT) calculations and vibrational spectroscopy results indicated that both surfaces bonded to furfural with similar adsorption geometries and should be active toward the furfural HDO reaction. Temperature Programmed Desorption (TPD) experiments confirmed a similar HDO activity between the two surfaces, with Fe/Mo2C/Mo(110) being more thermally stable than Fe/Pt(111). The combined theoretical and experimental results demonstrated that Fe/Mo2C should be a promising non-precious metal catalyst for the HDO reaction of furfural to produce 2-methylfuran.

Authors:
 [1];  [2]; ORCiD logo [3]
  1. Columbia Univ., New York, NY (United States)
  2. Jiangsu Univ., Zhenjiang (People's Republic of China)
  3. Columbia Univ., New York, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Catalysis Center for Energy Innovation (CCEI); Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1454816
Alternate Identifier(s):
OSTI ID: 1659740
Report Number(s):
BNL-205764-2018-JAAM
Journal ID: ISSN 1022-5528
Grant/Contract Number:  
SC0012704; AC02-05CH11231; SC0001004
Resource Type:
Accepted Manuscript
Journal Name:
Topics in Catalysis
Additional Journal Information:
Journal Volume: 61; Journal Issue: 5-6; Journal ID: ISSN 1022-5528
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Hydrodeoxygenation; Furfural; Molybdenum carbide; Iron-modified carbide

Citation Formats

Wan, Weiming, Jiang, Zhifeng, and Chen, Jingguang G. A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces. United States: N. p., 2018. Web. doi:10.1007/s11244-018-0901-x.
Wan, Weiming, Jiang, Zhifeng, & Chen, Jingguang G. A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces. United States. https://doi.org/10.1007/s11244-018-0901-x
Wan, Weiming, Jiang, Zhifeng, and Chen, Jingguang G. Fri . "A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces". United States. https://doi.org/10.1007/s11244-018-0901-x. https://www.osti.gov/servlets/purl/1454816.
@article{osti_1454816,
title = {A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces},
author = {Wan, Weiming and Jiang, Zhifeng and Chen, Jingguang G.},
abstractNote = {It is desirable to convert biomass-derived furfural to 2-methylfuran through the hydrodeoxygenation (HDO) reaction using an inexpensive catalyst with high stability. In this work, Mo2C was used as an alternative substrate to replace precious Pt to support monolayer Fe for the HDO reaction of furfural. The HDO activity and stability of Fe/Pt(111) and Fe/Mo2C/Mo(110) surfaces were compared. Density functional theory (DFT) calculations and vibrational spectroscopy results indicated that both surfaces bonded to furfural with similar adsorption geometries and should be active toward the furfural HDO reaction. Temperature Programmed Desorption (TPD) experiments confirmed a similar HDO activity between the two surfaces, with Fe/Mo2C/Mo(110) being more thermally stable than Fe/Pt(111). The combined theoretical and experimental results demonstrated that Fe/Mo2C should be a promising non-precious metal catalyst for the HDO reaction of furfural to produce 2-methylfuran.},
doi = {10.1007/s11244-018-0901-x},
journal = {Topics in Catalysis},
number = 5-6,
volume = 61,
place = {United States},
year = {Fri Jan 19 00:00:00 EST 2018},
month = {Fri Jan 19 00:00:00 EST 2018}
}

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Free Publicly Available Full Text
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Cited by: 11 works
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Figures / Tables:

Table 1 Table 1: Comparison of the bond lengths (Å) and binding energies (eV) of furfural on monolayer Fe/Pt(111), PtFePt(111) and Fe/Mo2C(0001)

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Works referencing / citing this record:

Vibrational Spectroscopic Characterization of Glycerol Reaction Pathways over Metal‐Modified Molybdenum Carbide Surfaces
journal, October 2019


Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.