Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study

Evans, E. J.; Li, H.; Yu, Wen-Yueh; Mullen, G. M.; Henkelman, G.; Mullins, C. Buddie

doi:10.1039/c7cp05097f

Title: Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study

Journal Article · Sun Jan 01 00:00:00 EST 2017 · Physical Chemistry Chemical Physics. PCCP (Print)

DOI:https://doi.org/10.1039/c7cp05097f· OSTI ID:1539879

Evans, E. J. ^[1]; Li, H. ^[2]; Yu, Wen-Yueh ^[1]; Mullen, G. M. ^[1];

^[2];

^[1]

McKetta Department of Chemical Engineering and Department of Chemistry; Center for Nano and Molecular Science and Technology; Texas Materials Institute; Center for Electrochemistry, and Institute for Computational Engineering and Sciences; University of Texas at Austin
Department of Chemistry, Institute for Computational and Engineering Sciences; Texas Materials Institute; The University of Texas at Austin; Austin; USA

UHV experiments and DFT show the dependence of the ethanol dehydrogenation mechanism on the Pd ensemble size on Au(111).

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Research Organization:: Univ. of Texas, Austin, TX (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0018116

OSTI ID:: 1539879

Journal Information:: Physical Chemistry Chemical Physics. PCCP (Print), Vol. 19, Issue 45; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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