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Cooperative Formation of Long-Range Ordering in Water Ad-layers on Fe3O4(111) Surfaces

MPG-Autoren
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Mirabella,  Francesca
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Zaki,  Eman
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Ivars Barcelo,  Francisco
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Shaikhutdinov,  Shamil K.
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Zitation

Mirabella, F., Zaki, E., Ivars Barcelo, F., Li, X., Paier, J., Sauer, J., et al. (2018). Cooperative Formation of Long-Range Ordering in Water Ad-layers on Fe3O4(111) Surfaces. Angewandte Chemie International Edition, 57(5), 1409-1413. doi:10.1002/anie.201711890.


Zitierlink: https://hdl.handle.net/21.11116/0000-0000-3F85-4
Zusammenfassung
The initial stages of water adsorption on magnetite Fe3O4(111) surface and the atomic structure of the water/oxide interface remain controversial. Herein, we provide experimental results obtained by infrared reflection–absorption spectroscopy (IRAS) and temperature-programmed desorption (TPD), corroborated by density functional theory (DFT) calculations showing that water readily dissociates on Fetet sites to form two hydroxo species. These act as an anchor for water molecules to form a dimer complex which self-assembles into an ordered (2×2) structure. Water ad-layer ordering is rationalized in terms of a cooperative effect induced by a hydrogen-bonding network.