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L. Buannic , F. Blanc, I, Hung, Z. Gan , C. Grey, J. Materials Chemistry, 20, 6322-6332 (2010)

High-Field NMR Study of Solid Oxide Fuel Cell Gregory S. Boebinger , Florida State University, DMR 0654118 NMR User Program, FSU, Tallahassee.

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L. Buannic , F. Blanc, I, Hung, Z. Gan , C. Grey, J. Materials Chemistry, 20, 6322-6332 (2010)

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  1. High-Field NMR Study of Solid Oxide Fuel CellGregory S. Boebinger, Florida State University, DMR 0654118 NMR User Program, FSU, Tallahassee A SolidOxide Fuel Cell (SOFC) is an electrochemical conversion device that produces electricity directly from oxidizing a fuel. Advantages of this class of fuel cells include high efficiency, long-term stability, fuel flexibility, low emissions, and relatively low cost. The largest disadvantage is that the operating temperature is typically very high, resulting in long start-up times and problems with mechanical and chemical compatibility at elevated temperatures. The Professor Clare Grey group at SUNY Stony Brook and Cambridge UK uses high field NMR to study protonic conduction pathways in scandium-substituted BaZrO3perovskite-type materials which show the best results as conductor in SOFC at lower operating temperatures. x Hydration of the BaZr1-xScxO3-x/2 crystal structure occurs when a water molecule (red arrow) attacks an oxygen vacancy (green ‘X’). This compound is a leading candidate for solid oxide fuel cells. Yellow, blue, pink, red and green atoms respectively represent barium, zirconium, scandium, oxygen and hydrogen atoms. This work supported in part by NSF/DMR-0804737, and the New York State Foundation for Science, Technology and Innovation via a NYSTAR award.

  2. High-Field NMR Study of Solid Oxide Fuel Cell Gregory S. Boebinger, Florida State University, DMR 0654118NMR User Program, FSU, Tallahassee conventional spectrum • High-field (20T) NMR spectra taken at the NHMFL of scandium-substituted BaZrO3 Scandium (45Sc) multiple quantum magic-angle spinning (MQMAS) with Cq-selective spin-echo suppresses the bulk 6-coordinate Sc site, revealing the 5-coordinate Sc site associated with the oxygen vacancy responsible for the anionic conductance required for fuel cells to operate. broad quadrupolar line of interest • The two-dimensional MQMAS resolves completely the broad and complex quadrupolar line shape (red arrows in figure) of the 5-coordinate Sc site for extracting electric-field-gradient and chemical shift parameters that are compared with quantum chemical calculations and known parameters to gain a detailed knowledge of the chemical processes in solid oxide fuel cells This work supported in part by NSF/DMR-0804737, and the New York State Foundation for Science, Technology and Innovation via a NYSTAR award. L. Buannic, F. Blanc, I, Hung, Z. Gan, C. Grey, J. Materials Chemistry, 20, 6322-6332 (2010)

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