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  LEED-I(V) Structure Analysis of the (7 × √3)rect SO4 Phase on Ag(111): Precursor to the Active Species of the Ag-Catalyzed Ethylene Epoxidation

Wyrwich, R., Jones, T., Günther, S., Moritz, W., Ehrensperger, M., Böcklein, S., et al. (2018). LEED-I(V) Structure Analysis of the (7 × √3)rect SO4 Phase on Ag(111): Precursor to the Active Species of the Ag-Catalyzed Ethylene Epoxidation. The Journal of Physical Chemistry C, 122(47), 26998-27004. doi:10.1021/acs.jpcc.8b09309.

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Wyrwich, Regina1, Autor
Jones, Travis2, Autor           
Günther, Sebastian3, Autor
Moritz, Wolfgang4, Autor
Ehrensperger, Martin1, Autor
Böcklein, Sebastian1, Autor
Lüsner, Arne1, Autor
Locatelli, Andrea5, Autor
Onur Mentes, Tevfik5, Autor
Nino, Miguel Angel5, Autor
Knop-Gericke, Axel2, Autor           
Schlögl, Robert2, Autor           
Piccinin, Simone6, Autor
Wintterlin, Joost1, Autor
Affiliations:
1Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13, 81377 Munich, Germany, ou_persistent22              
2Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              
3Chemie Department, Technische Universität München, Lichtenbergstr. 4, 85748 Garching, Germany, ou_persistent22              
4Department of Earth and Environmental Sciences, Ludwig-Maximilians-Universität München, Theresienstr. 41, 80333 Munich, Germany, ou_persistent22              
5Elettra-Sincrotrone Trieste S.C.p.A., S.S. 14 km 163.5 in AREA Science Park, Basovizza, 34149 Trieste, Italy, ou_persistent22              
6CNR-IOM DEMOCRITOS, c/o SISSA, Via Bonomea 265, 34136 Trieste, Italy, ou_persistent22              

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 Zusammenfassung: According to a recently proposed mechanism, the silver-catalyzed industrial synthesis of ethylene oxide (EO) involves adsorbed SO4. The O atoms that are added to the ethylene molecules to give EO originate from SO4, which may solve the long-standing question about the active oxygen species in this reaction. Here, we report a low-energy electron diffraction structure analysis of an ordered phase of SO4 on the Ag(111) surface, forming a (7 × √3)rect structure and containing the oxygen species that before had been spectroscopically
identified on the active catalyst. Using I(V) data from a low-energy electron microscope and an input model from density functional theory, the complex structure could be solved. It contains SO4 moieties on a reconstructed Ag(111) surface in which all four O atoms bind to Ag atoms. In the proposed ethylene epoxide reaction model, the structure represents the parent phase from which the active SO4 phase is formed by a lifting of the reconstruction.

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Sprache(n): eng - English
 Datum: 2018-09-242018-10-312018-11-29
 Publikationsstatus: Erschienen
 Seiten: 7
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/acs.jpcc.8b09309
 Art des Abschluß: -

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Titel: The Journal of Physical Chemistry C
  Kurztitel : J. Phys. Chem. C
Genre der Quelle: Zeitschrift
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Affiliations:
Ort, Verlag, Ausgabe: Washington, D.C. : American Chemical Society
Seiten: 7 Band / Heft: 122 (47) Artikelnummer: - Start- / Endseite: 26998 - 27004 Identifikator: ISSN: 1932-7447
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766