O-W-BRA-12 First Principles Studies of the Conversion of Biomass-Derived Compounds by Noble Metal Catalysis

Wednesday, June 5, 2013: 2:50 PM
Ballroom A (Galt House Hotel)
Bin Liu, Argonne National Laboratory, USA and Jeffrey P. Greeley, Purdue University, USA.
We determine trends in the activity and selectivity of hydrogen production from glycerol and other biomolecules using periodic Density Functional Theory calculations.  The analysis represents the first systematic theoretical comparison of reforming of glycerol across multiple transition metal catalysts.

Extended Abstracts: