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Dehydrogenation of methanol on Cu2O(100) and (111)
Stockholm University, Faculty of Science, Department of Physics.
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Number of Authors: 10
2017 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 146, no 24, 244702Article in journal (Refereed) Published
Abstract [en]

Adsorption and desorption of methanol on the (111) and (100) surfaces of Cu2O have been studied using high-resolution photoelectron spectroscopy in the temperature range 120-620 K, in combination with density functional theory calculations and sum frequency generation spectroscopy. The bare (100) surface exhibits a (3,0; 1,1) reconstruction but restructures during the adsorption process into a Cu-dimer geometry stabilized by methoxy and hydrogen binding in Cu-bridge sites. During the restructuring process, oxygen atoms from the bulk that can host hydrogen appear on the surface. Heating transforms methoxy to formaldehyde, but further dehydrogenation is limited by the stability of the surface and the limited access to surface oxygen. The (root 3 x root 3)R30 degrees-reconstructed (111) surface is based on ordered surface oxygen and copper ions and vacancies, which offers a palette of adsorption and reaction sites. Already at 140 K, a mixed layer of methoxy, formaldehyde, and CHxOy is formed. Heating to room temperature leaves OCH and CHx. Thus both CH-bond breaking and CO-scission are active on this surface at low temperature. The higher ability to dehydrogenate methanol on (111) compared to (100) is explained by the multitude of adsorption sites and, in particular, the availability of surface oxygen.

Place, publisher, year, edition, pages
2017. Vol. 146, no 24, 244702
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-145191DOI: 10.1063/1.4989472ISI: 000404302600033OAI: oai:DiVA.org:su-145191DiVA: diva2:1128981
Available from: 2017-07-31 Created: 2017-07-31 Last updated: 2017-07-31Bibliographically approved

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