Journal
APPLIED CATALYSIS B-ENVIRONMENTAL
Volume 266, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.apcatb.2020.118626
Keywords
Carbon tolerance; Gasoline partial oxidation; SOFCs; Ni-Mo; DFT-based calculation
Funding
- Office of Naval Research [N00014-15-1-2416]
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences within the Catalysis Science program [DE-SC0014560]
- Joint Center for Deployment and Research in Earth Abundant Materials (JCDREAM) in Washington State
- Stony Brook University (SBU)
- Brookhaven National Laboratory (BNL) [37298]
- Center for Functional Nanomaterials at BNL - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704]
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We introduce a small amount of Mo atoms into a Ni/YSZ catalyst for the partial oxidation reaction of gasoline. We find that a Ni-Mo/YSZ catalyst displays a high reforming activity and stability with an isooctane conversion of 90 % and H-2 yield of 76 % with less degree of coking and sintering as compared to a Ni/YSZ catalyst. Our XRD results indicate that a Ni-Mo solid solution is formed. Raman results also suggest that the presence of well dispersed Mo = O species over a Ni surface can be a possible active site that is related to the high coke resistance of Ni-Mo/YSZ catalysts. DFT-based calculations indicate that Ni-Mo/YSZ catalysts enhance the carbon-tolerance by increasing activation barriers for the C-H bond cleavage and C-C coupling as compared with the Ni/YSZ system. A Ni-Mo catalyst is used as an internal micro-reforming layer on top of conventional Ni-YSZ anode supported single cells. The single cell displays a significantly improved stability with a low degradation rate.
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