Journal
JOURNAL OF CATALYSIS
Volume 285, Issue 1, Pages 1-5Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcat.2011.08.006
Keywords
NiFeP; Deep HDS; DFT; EXAFS; Nickel iron phosphide; 4,6-Dimethyldibenzothiophene
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Funding
- US Department of Energy, Office of Basic EnergySciences [DE-FG02-963414669]
- National Renewable Energy Laboratory [DE-FG3608GO18214]
- Humboldt Foundation for a Senior Research Award
- Japan Ministry of Agriculture, Forestry, and Fisheries (Norinsuisansho)
- Deutsche Forschungsgemeinschaft
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The hydrodesulfurization (HDS) of the refractory compound 4,6-dimethyldibenzothiophene (DMDBT) normally proceeds through a hydrogenation pathway that removes the planarity of the ring system and makes the hindered sulfur atom more accessible to the desulfurization centers. In this study, a highly active dispersed bimetallic NiFeP catalyst is found to have high selectivity for a direct desulfurization pathway, which does not require prior hydrogenation. The compound has equal numbers of Ni and Fe atoms which extended X-ray absorption fine structure analysis indicates are distributed randomly in the hexagonal Fe2P structure, with just a slight enrichment of Fe on the surface. This is supported by density functional theory calculations. The remarkable properties of the catalyst are ascribed to a ligand effect of Fe on the active Ni atoms. (C) 2011 Elsevier Inc. All rights reserved.
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