17O MQMAS NMR spectroscopy is a powerful techniques for the elucidation of glass structure (here applied to a ternary borosilicate glass). Quantitative modeling of such spectra is prerequisite for devising structural models of glass structure.
Over the years solid state NMR has proven to be one the most powerful and promising spectroscopy for structural studies of complex materials such as glasses. Reseashes are accired out in our lab in the context of nuclear waste materials.
We are applying and developping advanced NMR techniques for the stuctural characterization of those materials, adressing general issues concerning their structure, the role of each of their individual component, their long term behavior (chemical durability, irradiation effect), incorporation mechanism of low-solubility elements (rare-earth, transition elements,...) . In support of those expeirmental data, we put lot of efforts in processing and modelling NMR data to extract valuable information.
Combining MD simulations, DFT calculation and NMR data (here 11B MQMAS NMR)
Opens new perspectives in getting new insights in glass structure such as the extraction
Of Bond Angle distribution, here applied to a binary borosilicate glass.
Modification of Molybdenum Structural Environment in Borosilicate Glasses with Increasing Content of Boron and Calcium Oxide by 95Mo MAS NMR,
M. Magnin, S. Schuller, C. Mercier, J. Trébosc, D. Caurant, O. Majérus, F. Angéli and Thibault Charpentier, J. Am. Ceram. Soc 2011, volume 94, 4274-4282.
Boron speciation in Soda-Lime Borosilicate Glasses Containing Zirconium,
F. Angeli, T. Charpentier, D.de Ligny and C. Cailleteau, Journal of American Ceramic Society, 2010, 93, 2693-2704.
Effect of temperature and thermal history on borosilicate glass structure,
F. Angeli, O. Villain, S. Schuller, T. Charpentier, D. de Ligny, L. Bressel, and L. Wondraczek, Phys. Rev. B 85, 054110 (2012)
Influence of zirconium on the structure of pristine and leached soda-lime borosilicate glasses: toward a quantitative approach by 17O MQMAS NMR,
F.Angeli, T. Charpentier, M. Gaillard and P. Jollivet, J. Non-Cryst. Solids 354 (2008) 3713-3722.
Insight into sodium silicate glass structural organization by multinuclear NMR combined with first-principles calculations,
F. Angeli, O. Villain, S. Schuller, S.Ispas and T. Charpentier, Geochimica et Cosmochimica Acta, 75 (2011) 2453-2469.
Maj : 13/06/2016 (1912)