English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

A Silica Bilayer Supported on Ru(0001): Following the Crystalline-to Vitreous Transformation in Real Time with Spectro‐microscopy

MPS-Authors
/persons/resource/persons32777

Klemm,  Hagen
Chemical Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons179553

Prieto,  Mauricio
Chemical Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21628

Heyde,  Markus
Chemical Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21866

Menzel,  Dietrich
Chemical Physics, Fritz Haber Institute, Max Planck Society;
Physik-Department E20, Technical University München;

/persons/resource/persons22076

Schmidt,  Thomas
Chemical Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21524

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

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)

anie.202002514.pdf
(Publisher version), 4MB

Supplementary Material (public)
There is no public supplementary material available
Citation

Klemm, H., Prieto, M., Xiong, F., Hassine, G. B., Heyde, M., Menzel, D., et al. (2020). A Silica Bilayer Supported on Ru(0001): Following the Crystalline-to Vitreous Transformation in Real Time with Spectro‐microscopy. Angewandte Chemie International Edition, 59(26), 10587-10593. doi:10.1002/anie.202002514.


Cite as: http://hdl.handle.net/21.11116/0000-0005-F28F-9
Abstract
The crystalline to vitreous phase transformation of a SiO2 bilayer supported on Ru(0001) was studied by means of time‐dependent LEED, local XPS and DFT calculations. The silica bilayer system constitutes a model system that has interesting parallels to 3D silica glass and can be used to understand the mechanism of the disorder transition. An Arrhenius analysis of the time constant for the phase transformation in the 2D hexagonal network of crystalline silica at variable temperature gives apparent activation energy values (Eaapp) of (4.2 ± 0.6) and (4.1 ± 0.2) eV for the transformation in UHV and O2 atmosphere, respectively. The differences observed in the Eaapp values lie within the experimental accuracy of the determination. DFT simulations show that the formation of a Stone‐Wales type of defect follows a complex mechanism, where the two layers show decoupled behavior in terms of chemical bond rearrangements. The calculated activation energy of the rate determining step for the formation of a Stone‐Wales type of defect of 4.3 eV is in a very good agreement with the experimental value. Charge transfer between SiO2 bilayer and Ru(0001) support is shown to lower the activation energy for breaking the Si‐O bond compared to the unsupported film. The pre‐exponential factors obtained under both atmospheres differ significantly, thus suggesting that the interfacial ORu underneath the SiO2 bilayer plays a role on how the disordering propagates within the film.