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

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons199396

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons129837

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

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons137071

Seifert,  Jan
Chemical Physics, Fritz Haber Institute, Max Planck Society;

Carey,  Spencer
Chemical Physics, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons22106

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21524

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

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Volltexte (frei zugänglich)

c8cp02333f.pdf
(Verlagsversion), 6MB

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Zitation

Zaki, E., Mirabella, F., Ivars-Barceló, F., Seifert, J., Carey, S., Shaikhutdinov, S. K., et al. (2018). Water adsorption on the Fe3O4(111) surface: dissociation and network formation. Physical Chemistry Chemical Physics, 20(23), 15764-15774. doi:10.1039/C8CP02333F.


Zitierlink: http://hdl.handle.net/21.11116/0000-0001-9E9D-D
Zusammenfassung
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.