Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Dehydrogenation of methanol on Cu2O(100) and (111)
KTH .ORCID iD: 0000-0002-9828-7753
Stockholm University.
Show others and affiliations
2017 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 146, no 24Article 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 theorycalculations and sum frequency generation spectroscopy. The bare (100) surfaceexhibits 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 (√3 × √3)R30°-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 surfaceoxygen.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2017. Vol. 146, no 24
National Category
Physical Chemistry
Research subject
Physics
Identifiers
URN: urn:nbn:se:kau:diva-63728DOI: 10.1063/1.4989472ISI: 000404302600033Scopus ID: 2-s2.0-85021446807OAI: oai:DiVA.org:kau-63728DiVA: diva2:1144129
Available from: 2017-08-13 Created: 2017-09-25 Last updated: 2017-09-25Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopushttp://aip.scitation.org/doi/abs/10.1063/1.4989472

Search in DiVA

By author/editor
Besharat, ZahraHalldin Stenlid, JoakimSoldemo, MarkusWeissenrieder, JonasBrinck, Tore
In the same journal
Journal of Chemical Physics
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 4 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf