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Article
Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations
Journal of the American Chemical Society (2015)
  • Aaron J. Rossini, Institut des Sciences et Ingénierie Chimiques
Abstract
Despite the widespread use of amorphous aluminosilicates (ASA) in various industrial catalysts, the nature of the interface between silica and alumina and the atomic structure of the catalytically active sites are still subject to debate. Here, by the use of dynamic nuclear polarization surface enhanced NMR spectroscopy (DNP SENS) and density functional theory (DFT) calculations, we show that on silica and alumina surfaces, molecular aluminum and silicon precursors are, respectively, preferentially grafted on sites that enable the formation of Al(IV) and Si(IV) interfacial sites. We also link the genesis of Brønsted acidity to the surface coverage of aluminum and silicon on silica and alumina, respectively.
Publication Date
August 5, 2015
DOI
10.1021/jacs.5b06134
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society, 137(33); 10710-10719. Doi: 10.1021/jacs.5b06134. Copyright 2015 American Chemical Society.
Citation Information
Aaron J. Rossini. "Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations" Journal of the American Chemical Society Vol. 137 Iss. 33 (2015) p. 10710 - 10719
Available at: http://works.bepress.com/aaron-rossini/4/