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First layer water phases on anatase TiO2(101)
Lund Univ, Dept Synchrotron Radiat Res, POB 118, SE-22100 Lund, Sweden.;Chalmers Univ Technol, Competence Ctr Catalysis, S-41296 Gothenburg, Sweden..
Uppsala Univ, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry. Uppsala Univ, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden.ORCID iD: 0000-0002-9432-3112
Lund Univ, Dept Chem, Chem Phys, POB 124, SE-22100 Lund, Sweden..
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2018 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 674, p. 25-31Article in journal (Refereed) Published
Abstract [en]

The anatase TiO2(101) surface and its interaction with water is an important topic in oxide surface chemistry. Firstly, it benchmarks the properties of the majority facet of TiO2 nanoparticles and, secondly, there is a controversy as to whether the water molecule adsorbs intact or deprotonates. We have addressed the adsorption of water on anatase TiO2(101) by synchrotron radiation photoelectron spectroscopy. Three two-dimensional water structures are found during growth at different temperatures: at 100 K, a metastable structure forms with no hydrogen bonding between the water molecules. In accord with prior literature, we assign this phase to chains of disordered molecules. Growth 160 K results in a metastable structure with expressed hydrogen bonding between the water molecules. At 190 K, the water molecules become disordered as the thermal energy is too high and hence the hydrogen bonds break. The result is a structure with isolated monomers. Partial dissociation is observed for all three growths, with the molecular state only slightly favored in energy (20-40 meV) over the dissociated state. Heating of a thick film leads to more dissociation compared to a bilayer, when formed at 100 K. Thus, extending the water network facilitates proton transport and hence dissociation. The results reconcile apparent conflicting experimental results previously obtained by scanning tunneling microscopy (STM) and core level photoelectron spectroscopy.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2018. Vol. 674, p. 25-31
Keywords [en]
Metal oxides, TiO2, Anatase, Water adsorption, Monolayer, Dissociation, Photoelectron spectroscopy
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-230395DOI: 10.1016/j.susc.2018.03.019ISI: 000432759200005OAI: oai:DiVA.org:kth-230395DiVA, id: diva2:1221726
Note

QC 20180620

Available from: 2018-06-20 Created: 2018-06-20 Last updated: 2018-06-20Bibliographically approved

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Cappel, Ute B.

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