Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts

Carrasquillo-Flores, Ronald; Gallo, Jean Marcel R; Hahn, Konstanze; Dumesic, James A; Mavrikakis, Manos

doi:10.1002/cctc.201300365

Title: Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts

Journal Article · Tue Nov 05 00:00:00 EST 2013 · ChemCatChem

DOI:https://doi.org/10.1002/cctc.201300365· OSTI ID:1160738

Carrasquillo-Flores, Ronald; Gallo, Jean Marcel R; Hahn, Konstanze; Dumesic, James A; Mavrikakis, Manos

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Institute for Atom-efficient Chemical Transformations (IACT)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1160738

Journal Information:: ChemCatChem, Vol. 5(12); Related Information: IACT partners with Argonne National Laboratory (lead); Brookhaven National Laboratory; Northwestern University; Purdue University; University of Wisconsin at Madison

Country of Publication:: United States

Language:: English

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