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  Interplay between theory and experiment in the quest for silica with reduced dimensionality grown on a Mo(112) surface

Sierka, M., Todorova, T. K., Kaya, S., Stacchiola, D., Weissenrieder, J., Lu, J., et al. (2006). Interplay between theory and experiment in the quest for silica with reduced dimensionality grown on a Mo(112) surface. Chemical Physics Letters, 424(1-3), 115-119. doi:10.1016/j.cplett.2006.04.072.

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Sierka, Marek, Autor
Todorova, Tanya K.1, Autor
Kaya, Sarp2, Autor           
Stacchiola, Dario2, Autor           
Weissenrieder, Jonas2, Autor           
Lu, Junling2, Autor           
Gao, Hongjun, Autor
Shaikhutdinov, Shamil2, Autor           
Freund, Hans-Joachim2, Autor           
Sauer, Joachim, Autor
Affiliations:
1Max Planck Society, ou_persistent13              
2Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

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 Zusammenfassung: The stability of ordered one- and two-dimensional silica structures formed on a Mo(112) surface as a function of silicon coverage and oxygen pressure (phase diagram) is derived from density functional theory. At elevated oxygen pressures formation of a new, previously not considered structure of two-dimensional silica film is predicted. It contains additional oxygen atoms adsorbed directly on the Mo(112) surface underneath a two-dimensional network of corner sharing [SiO4] tetrahedra. The existence of the new phase is confirmed experimentally using infrared reflection absorption spectroscopy and X-ray photoelectron spectroscopy.

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Titel: Chemical Physics Letters
  Alternativer Titel : Chem. Phys. Lett.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 424 (1-3) Artikelnummer: - Start- / Endseite: 115 - 119 Identifikator: -