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

MPS-Authors

Todorova,  Tanya K.
Max Planck Society;

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Kaya,  Sarp
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Stacchiola,  Dario
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Weissenrieder,  Jonas
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Lu,  Junling
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Shaikhutdinov,  Shamil
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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Citation

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.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0011-043C-3
Abstract
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.