Journal
SURFACE SCIENCE
Volume 640, Issue -, Pages 159-164Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2015.01.009
Keywords
Bimetallic surfaces; ML Fe/Ni(111) surface; Biomass-derivatives; Furfural; Glycolaldehyde; Acetaldehyde
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Funding
- Catalysis Center for Energy Innovation, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science,Office of Basic Energy Sciences [DE-SC0001004]
- U.S. DOE/BES [DE-AC02-98CH10886]
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Controlling the activity and selectivity of converting biomass-derivatives to fuels and valuable chemicals is critical for the utilization of biomass feedstocks. There are primarily three classes of non-food competing biomass, cellulose, hemicellulose and lignin. In the current work, glycolaldehyde, furfural and acetaldehyde are studied as model compounds of the three classes of biomass-derivatives. Monometallic Ni(111) and monolayer (ML) Fe/Ni(111) bimetallic surfaces are studied for the reaction pathways of the three biomass surrogates. The MLFe/Ni(111) surface is identified as an efficient surface for the conversion of biomass-derivatives from the combined results of density functional theory (DFT) calculations and temperature programmed desorption (TPD) experiments. A correlation is also established between the optimized adsorption geometry and experimental reaction pathways. These results should provide helpful insights in catalyst design for the upgrading and conversion of biomass. (C) 2015 Elsevier B.V. All rights reserved.
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