Search: onr:"swepub:oai:DiVA.org:su-145191" >
Dehydrogenation of ...
Dehydrogenation of methanol on Cu2O(100) and (111)
-
- Besharat, Zahra (author)
- KTH,Materialfysik, MF,Yt- och korrosionsvetenskap
-
- Halldin Stenlid, Joakim, 1987- (author)
- KTH,Tillämpad fysikalisk kemi,Brinck group
-
- Soldemo, Markus (author)
- KTH,Materialfysik, MF
-
show more...
-
- Marks, Kess (author)
- Stockholms universitet,Fysikum,Stockholm University
-
- Önsten, Anneli (author)
- KTH,Materialfysik, MF
-
- Johnson, Magnus (author)
- KTH,Yt- och korrosionsvetenskap
-
- Öström, Henrik (author)
- Stockholms universitet,Fysikum,Stockholm University
-
- Weissenrieder, Jonas (author)
- KTH,Materialvetenskap
-
- Brinck, Tore, 1965- (author)
- KTH,Tillämpad fysikalisk kemi
-
- Göthelid, Mats (author)
- KTH,Materialfysik, MF
-
show less...
-
(creator_code:org_t)
- AIP Publishing, 2017
- 2017
- English.
-
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 146:24
- Related links:
-
http://aip.scitation...
-
show more...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
https://urn.kb.se/re...
-
show less...
Abstract
Subject headings
Close
- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Keyword
- kemisk fysik
- Chemical Physics
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database
- By the author/editor
-
Besharat, Zahra
-
Halldin Stenlid, ...
-
Soldemo, Markus
-
Marks, Kess
-
Önsten, Anneli
-
Johnson, Magnus
-
show more...
-
Öström, Henrik
-
Weissenrieder, J ...
-
Brinck, Tore, 19 ...
-
Göthelid, Mats
-
show less...
- About the subject
-
- NATURAL SCIENCES
-
NATURAL SCIENCES
-
and Physical Science ...
-
- NATURAL SCIENCES
-
NATURAL SCIENCES
-
and Chemical Science ...
-
and Physical Chemist ...
- Articles in the publication
-
Journal of Chemi ...
- By the university
-
Stockholm University
-
Royal Institute of Technology
-
Karlstad University