Following the Reduction of Oxygen on TiO Anatase (101) Step by Step.
We have investigated the reaction between O and HO, coadsorbed on the (101) surface of a reduced TiO anatase single crystal by scanning tunneling microscopy, density functional theory, temperature-programmed desorption, and X-ray photoelectron spectroscopy. While water adsorbs molecularly on the ana...
| Publicado en: | Journal of the American Chemical Society Vol. 138; no. 30; pp. 9565 - 9572 |
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| Autores principales: | , , , , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
8/3/2016
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=117619367&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 117619367 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 8/3/2016 vid: 138 iid: 30 pid: 997 pub: American Chemical Society artinfo: ui: 117619367 10.1021/jacs.6b04004 ppf: 9565 ppct: 7 formats: tig: atl: Following the Reduction of Oxygen on TiO Anatase (101) Step by Step. aug: au: Setvin, Martin Aschauer, Ulrich Hulva, Jan Simschitz, Thomas Daniel, Benjamin Schmid, Michael Selloni, Annabella Diebold, Ulrike affil: TU Wien, Wiedner Hauptstrasse 8-10/134, 1040 Vienna, Austria Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland Department of Chemistry, Frick Laboratory, Princeton University, Princeton, New Jersey 08544, United States su: Titanium dioxide Single crystals Scanning tunneling microscopy Density functional theory X-ray photoelectron spectroscopy sug: subj: Titanium dioxide Single crystals Scanning tunneling microscopy Density functional theory X-ray photoelectron spectroscopy ab: We have investigated the reaction between O and HO, coadsorbed on the (101) surface of a reduced TiO anatase single crystal by scanning tunneling microscopy, density functional theory, temperature-programmed desorption, and X-ray photoelectron spectroscopy. While water adsorbs molecularly on the anatase (101) surface, the reaction with O results in water dissociation and formation of terminal OH groups. We show that these terminal OHs are the final and stable reaction product on reduced anatase. We identify OOH as a metastable intermediate in the reaction. The water dissociation reaction runs as long as the surface can transfer enough electrons to the adsorbed species; the energy balance and activation barriers for the individual reaction steps are discussed, depending on the number of electrons available. Our results indicate that the presence of donor dopants can significantly reduce activation barriers for oxygen reduction on anatase. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2016 holdings: @attributes: islocal: N |
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