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Structure, Bonding and Chemistry of Water and Hydroxyl on Transition Metal Surfaces
Stockholm University, Faculty of Science, Department of Physics.
2006 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The structure, bonding and chemistry of water and hydroxyl on metal surfaces are presented. Synchrotron based x-ray photoelectron- and x-ray absorption spectroscopy along with density functional theory calculations mainly form the basis of the results. Conditions span the temperature range 35 - 520 K and pressures from ultra-high vacuum (~10 fAtm) to near ambient pressures (~1 mAtm). The results provide, e.g, new insights on the importance of hydrogen bonding for surface chemical kinetics.

Water adsorbs intact on the Pt(111), Ru(001) and Cu(110) surfaces at low temperatures forming 2-dimensional wetting layers where bonding to the metal (M) mainly occurs via H2O-M and M-HOH bonds. Observed isotope differences in structure and kinetics for H2O and D2O adsorption on Ru(001) are due to qualitatively different surface chemistries. D2O desorbs intact but H2O dissociates in kinetic competition with desorption similar to the D2O/Cu(110) system. The intact water layers are very sensitive to x-ray and electron induced damage.

The mixed H2O:OH phase on Ru(001) consists of stripe-like structures 4 to 6 Ru lattice parameters wide where OH decorates the edges of the stripes. On Pt(111), two different long-range ordered mixed H2O:OH structures are found to be inter-related by geometric distortions originating from the asymmetric H-bond donor-acceptor properties of OH towards H2O.

Water adsorption on Cu(110) was studied at near ambient conditions and compared to Cu(111). Whereas Cu(111) remains clean, Cu(110) holds significant amounts of water in a mixed H2O:OH layer. The difference is explained by the differing activation barriers for water dissociation, leading to the presence of OH groups on Cu(110) which lowers the desorption kinetics of water by orders of magnitude due to the formation of strong H2O-OH bonds. By lowering the activation barrier for water dissociation on Cu(111) by pre-adsorbing atomic O, generating adsorbed OH, similar results to those on Cu(110) are obtained.

Place, publisher, year, edition, pages
Stockholm: Fysikum , 2006. , 62 p.
Keyword [en]
core-level spectroscopy, surface chemistry, water, hydroxyl, metal surfaces, adsorption, structure, hydrogen bonding
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-1246ISBN: 91-7155-318-5 (print)OAI: oai:DiVA.org:su-1246DiVA: diva2:189691
Public defence
2006-09-26, sal FR4, AlbaNova universitetscentrum, Roslagstullsbacken 21, Stockholm, 10:00
Opponent
Supervisors
Available from: 2006-08-31 Created: 2006-08-31 Last updated: 2010-12-21Bibliographically approved
List of papers
1. Water dissociation on Ru(001): an activated process
Open this publication in new window or tab >>Water dissociation on Ru(001): an activated process
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2004 In: Phys. Rev. Lett, Vol. 93, no 196101Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-22885 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31Bibliographically approved
2. Molecularly intact and dissociative adsorption of water on clean Cu(110): a comparison with the water/Ru(001) system
Open this publication in new window or tab >>Molecularly intact and dissociative adsorption of water on clean Cu(110): a comparison with the water/Ru(001) system
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2005 In: Surf. Sci., Vol. 585, no L183Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-22886 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31Bibliographically approved
3. Structure of water adsorbed on the open Cu(110) surface: H-up, H-down, or both?
Open this publication in new window or tab >>Structure of water adsorbed on the open Cu(110) surface: H-up, H-down, or both?
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2006 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 429, no 4-6, 415-419 p.Article in journal (Refereed) Published
Abstract [en]

We investigated the structure of the water monolayer on an open surface, Cu(1 1 0), at low temperature. We found that water adsorbs molecularly, adopting a 2:1 ratio of H-down and H-up configurations. This behavior of water on an open surface is quite different to the behavior on close-packed surfaces, such as Pt(1 1 1) and Ru(0 0 0 1), where water adsorbs primarily H-down, but can be understood on the basis of a range of different water adsorption sites across the observed (7 × 8) unit cell.

National Category
Physical Sciences
Identifiers
urn:nbn:se:su:diva-24765 (URN)10.1016/j.cplett.2006.08.048 (DOI)
Note
Part of urn:nbn:se:su:diva-7435Available from: 2008-03-18 Created: 2008-03-18 Last updated: 2017-12-13Bibliographically approved
4. Structure and bonding of mixed water-hydroxyl phases on Pt(111)
Open this publication in new window or tab >>Structure and bonding of mixed water-hydroxyl phases on Pt(111)
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Manuscript (Other academic)
Identifiers
urn:nbn:se:su:diva-22888 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31 Last updated: 2010-01-13Bibliographically approved
5. Structure and properties of mixed H2O:OH stripes on Ru(001)
Open this publication in new window or tab >>Structure and properties of mixed H2O:OH stripes on Ru(001)
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Manuscript (Other academic)
Identifiers
urn:nbn:se:su:diva-22889 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31 Last updated: 2010-01-13Bibliographically approved
6. Water and hydroxyl surface chemistry on Cu(110) at near ambient pressures from in situ photoelectron spectroscopy studies
Open this publication in new window or tab >>Water and hydroxyl surface chemistry on Cu(110) at near ambient pressures from in situ photoelectron spectroscopy studies
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Manuscript (Other academic)
Identifiers
urn:nbn:se:su:diva-22890 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31 Last updated: 2010-01-13Bibliographically approved
7. Different water chemistry on Cu(110) and Cu(111) at near ambient conditions
Open this publication in new window or tab >>Different water chemistry on Cu(110) and Cu(111) at near ambient conditions
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Manuscript (Other academic)
Identifiers
urn:nbn:se:su:diva-22891 (URN)
Note
Part of urn:nbn:se:su:diva-1246Available from: 2006-08-31 Created: 2006-08-31 Last updated: 2010-01-13Bibliographically approved

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