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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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Supplementary files

Article information


Submitted
12 Apr 2018
Accepted
30 May 2018
First published
31 May 2018

This article is Open Access

Phys. Chem. Chem. Phys., 2018,20, 15764-15774
Article type
Paper

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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