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Issue 23, 2018
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Water adsorption on the Fe3O4(111) surface: dissociation and network formation

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Abstract

We monitored adsorption of water on a well-defined Fe3O4(111) film surface at different temperatures as a function of coverage using infrared reflection–absorption spectroscopy, temperature programmed desorption, and single crystal adsorption calorimetry. Additionally, density functional theory was employed using a Fe3O4(111)-(2 × 2) slab model to generate 15 energy minimum structures for various coverages. Corresponding vibrational properties of the adsorbed water species were also computed. The results show that water molecules readily dissociate on regular surface Fetet1–O ion pairs to form “monomers”, i.e., terminal Fe–OH and surface OH groups. Further water molecules adsorb on the hydroxyl covered surface non-dissociatively and form “dimers” and larger oligomers, which ultimately assemble into an ordered (2 × 2) hydrogen-bonded network structure with increasing coverage prior to the formation of a solid water film.

Graphical abstract: Water adsorption on the Fe3O4(111) surface: dissociation and network formation

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Publication details

The article was received on 12 Apr 2018, accepted on 30 May 2018 and first published on 31 May 2018


Article type: Paper
DOI: 10.1039/C8CP02333F
Citation: Phys. Chem. Chem. Phys., 2018,20, 15764-15774
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    Water adsorption on the Fe3O4(111) surface: dissociation and network formation

    E. Zaki, F. Mirabella, F. Ivars-Barceló, J. Seifert, S. Carey, S. Shaikhutdinov, H. Freund, X. Li, J. Paier and J. Sauer, Phys. Chem. Chem. Phys., 2018, 20, 15764
    DOI: 10.1039/C8CP02333F

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