Catalytically active structure of Bi deposited on a Au(111) electrode for the hydrogen peroxide reduction reaction
The surface structure of underpotentially deposited Bi has been determined on Au(111) in perchloric acid solution using surface X-ray diffraction (SXD), scanning tunneling microscopy (STM), and density functional theory (DFT) calculations. SXD analysis and STM images reveal that the catalytically ac...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 26(2010), 7 vom: 06. Apr., Seite 4590-3 |
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| Weitere Verfasser: | , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2010
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Boron Compounds Gold 7440-57-5 Hydrogen Peroxide BBX060AN9V |
| Zusammenfassung: | The surface structure of underpotentially deposited Bi has been determined on Au(111) in perchloric acid solution using surface X-ray diffraction (SXD), scanning tunneling microscopy (STM), and density functional theory (DFT) calculations. SXD analysis and STM images reveal that the catalytically active structure for the hydrogen peroxide reduction reaction (HPRR) is the (2 x 2)-Bi honeycomb structure with theta(Bi) = 0.50. The stability is supported by DFT calculations. The hydrated perchlorate anion is located in the center of the honeycomb structure without hydrogen peroxide. DFT calculations predict that the Bi honeycomb structure promotes the dissociation of the O-O bond of hydrogen peroxide. Hydrogen peroxide expels the hydrated perchlorate anion, and then HPRR takes place at the honeycomb center |
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| Beschreibung: | Date Completed 21.06.2010 Date Revised 21.11.2013 published: Print Citation Status MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/la100089y |