CO Oxidation Mechanism on CeO-Supported Au Nanoparticles.
Density functional theory was used to study the CO oxidation catalytic activity of CeO-supported Au nanoparticles (NPs). Experimental observations on CeO show that the surface of CeO is enriched with oxygen vacancies. We compare CO oxidation by a Au NP supported on stoichiometric CeO (Au@CeO-STO) an...
| Publicado en: | Journal of the American Chemical Society Vol. 134; no. 3; pp. 1560 - 1571 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
1/25/2012
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| 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=71498657&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 71498657 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: 1/25/2012 vid: 134 iid: 3 pid: 997 pub: American Chemical Society artinfo: ui: 71498657 10.1021/ja207510v ppf: 1560 ppct: 11 formats: tig: atl: CO Oxidation Mechanism on CeO-Supported Au Nanoparticles. aug: au: Hyun You Kim Hyuck Mo Lee Henkelman, Graeme affil: Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712-0165, United States Department of Materials Science and Engineering, KAIST, 291 Daehak-ro, Yuseong-gu, Daejeon, Korea su: Density functionals Oxidation of carbon monoxide Cerium oxides Gold Nanoparticles sug: subj: Density functionals Oxidation of carbon monoxide Cerium oxides Gold Nanoparticles ab: Density functional theory was used to study the CO oxidation catalytic activity of CeO-supported Au nanoparticles (NPs). Experimental observations on CeO show that the surface of CeO is enriched with oxygen vacancies. We compare CO oxidation by a Au NP supported on stoichiometric CeO (Au@CeO-STO) and partially reduced CeO with three vacancies (Au@CeO-3VAC). The structure of the Au NP was chosen to minimize structural rearrangement during CO oxidation. We suggest three CO oxidation mechanisms by Au@CeO: CO oxidation by coadsorbed O, CO oxidation by a lattice oxygen in CeO, and CO oxidation by O bound to a Au-Ce anchoring site. Oxygen vacancies are shown to open a new CO oxidation pathway by O bound to a Au-Ce anchoring site. Our results provide a design strategy for CO oxidation on supported Au catalysts. We suggest lowering the vacancy formation energy of the supporting oxide, and using an easily reducible oxide to increase the concentration of reduced metal ions, which act as anchoring sites for O molecules. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2012 holdings: @attributes: islocal: N |
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