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  Insights into Reaction Kinetics in Confined Space: Real Time Observation of Water Formation under a Silica Cover

Prieto, M., Mullan, T., Schlutow, M., Gottlob, D. M., Tanase, L. C., Menzel, D., et al. (2021). Insights into Reaction Kinetics in Confined Space: Real Time Observation of Water Formation under a Silica Cover. Journal of the American Chemical Society, 143(23), 8780-8790. doi:10.1021/jacs.1c03197.

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 Creators:
Prieto, Mauricio1, Author              
Mullan, Thomas2, Author
Schlutow, Mark2, Author
Gottlob, Daniel M.1, Author              
Tanase, Liviu Cristian1, Author              
Menzel, Dietrich1, 3, Author              
Sauer, Joachim2, Author
Usvyat, Denis2, Author
Schmidt, Thomas1, Author              
Freund, Hans-Joachim1, Author              
Affiliations:
1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              
2Institut für Chemie, Humboldt-Universität zu Berlin, 10099 Berlin, Germany;, ou_persistent22              
3Physik-Department E20, Technical University München, James-Franck-Str.1, 85748 Garching, Germany, ou_persistent22              

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 Abstract: We offer a comprehensive approach to determine how physical confinement can affect the water formation reaction. By using free-standing crystalline SiO2 bilayer supported on Ru(0001) as a model system, we studied the water formation reaction under confinement in situ and in real time. Low-energy electron microscopy reveals that the reaction proceeds via the formation of reaction fronts propagating across the Ru(0001) surface. The Arrhenius analyses of the front velocity yield apparent activation energies (Eaapp) of 0.32 eV for the confined and 0.59 eV for the nonconfined reaction. DFT simulations indicate that the rate-determining step remains unchanged upon confinement, therefore ruling out the widely accepted transition state effect. Additionally, H2O accumulation cannot explain the change in Eaapp for the confined cases studied because its concentration remains low. Instead, numerical simulations of the proposed kinetic model suggest that the H2 adsorption process plays a decisive role in reproducing the Arrhenius plots.

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Language(s): eng - English
 Dates: 2021-03-252021-06-072021-06-16
 Publication Status: Published in print
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/jacs.1c03197
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Title: Journal of the American Chemical Society
  Other : JACS
  Abbreviation : J. Am. Chem. Soc.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: 11 Volume / Issue: 143 (23) Sequence Number: - Start / End Page: 8780 - 8790 Identifier: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870