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

Abstract

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

Authors:
 [1];  [2];  [1];  [1]; ORCiD logo [2]; ORCiD logo [1]
  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
  2. Department of Chemistry, Institute for Computational and Engineering Sciences; Texas Materials Institute; The University of Texas at Austin; Austin; USA
Publication Date:
Research Org.:
Univ. of Texas, Austin, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539879
DOE Contract Number:  
SC0018116
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 19; Journal Issue: 45; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Evans, E. J., Li, H., Yu, Wen-Yueh, Mullen, G. M., Henkelman, G., and Mullins, C. Buddie. Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study. United States: N. p., 2017. Web. doi:10.1039/c7cp05097f.
Evans, E. J., Li, H., Yu, Wen-Yueh, Mullen, G. M., Henkelman, G., & Mullins, C. Buddie. Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study. United States. doi:10.1039/c7cp05097f.
Evans, E. J., Li, H., Yu, Wen-Yueh, Mullen, G. M., Henkelman, G., and Mullins, C. Buddie. Sun . "Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study". United States. doi:10.1039/c7cp05097f.
@article{osti_1539879,
title = {Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study},
author = {Evans, E. J. and Li, H. and Yu, Wen-Yueh and Mullen, G. M. and Henkelman, G. and Mullins, C. Buddie},
abstractNote = {UHV experiments and DFT show the dependence of the ethanol dehydrogenation mechanism on the Pd ensemble size on Au(111).},
doi = {10.1039/c7cp05097f},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 45,
volume = 19,
place = {United States},
year = {2017},
month = {1}
}

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