User Facility of the Sustainable Energy Initiative Galyna Krylova Research Assistant Professor Dept. of Chemistry and Biochemistry University of Notre.

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User Facility of the Sustainable Energy Initiative Galyna Krylova Research Assistant Professor Dept. of Chemistry and Biochemistry University of Notre Dame SEI Seminar August 29, 2011

Actinide Facility Instruments -Single Crystal XRD -Powder XRD -Calorimeter -In-situ/Ex-situ Raman

Single Crystal XRD(Bruker) Single Crystal XRD (Bruker) Details and capabilities: - CCD area detector - Low temperature (liquid nitrogen stream) device. - Microfocus sealed tube - Latest type of Montel mirror. - Mo Kα radiation (wavelength of Å). -SOL-XE energy dispersive X-ray detector Typical uses: -Determination of crystallographic structure of novel organic, inorganic, and organometallic materials Anticipated cost to use : Availability to Actinide - 100% Current Location- 303 Stinson-Remick Permanent Location – 303 Stinson-Remick Picture of instrument Picture of results from instrument UnitND AssistedND UnassistedExternal sample

Powder XRD(Bruker) Powder XRD (Bruker) Details and capabilities: - SOL-XE energy dispersive X-ray detector - Rotating sample stage. - Vertical goniometer, Theta/2Theta or Theta/Theta geometry - Max. usable angular range: 2Theta ≤ 168° - Smallest addressable increment: ° - Maximum angular speed: 20°/s Typical uses: -Routine crystallographic phase identification Anticipated cost to use : Availability to Acinide - 100% Current Location- 303 Stinson-Remick Permanent Location – 303 Stinson-Remick Picture of instrument Picture of results from instrument UnitND AssistedND UnassistedExternal scan

Calorimeter (Setaram) Details and capabilities: - Isothermal Differential Heat Flow - Temperature range: 500 ˚C – 1000 ˚C. - Temperature Accuracy +/- 0.1% - Enthalpy accuracy +/- 1% - Resolution: 50 µW - Cells: 28 ml (quartz cell) - 20 ml (platinum crucible) Typical uses: - The heats of formation of complex actinide materials containing transuranic elements. - Drop solution calorimetry with gas flow above the sample and/or gas bubbling through the molten solvent, - Direct reaction calorimetry to form alloys and compounds, - Aluminothermic and other oxidation-reduction reactions, - Gas-solid, gas-liquid, and liquid-liquid reactions. Anticipated cost to use : Availability to Actinide - 100% Current Location- 303 Stinson-Remick Permanent Location – 303 Stinson-Remick Picture of instrument Picture of results from instrument UnitND AssistedND UnassistedExternal sample ~625

Raman (Bruker) Details and capabilities: - Spectral range cm -1 - Resolution 5cm -1 - Working distance 60mm - Laser power 400mW - Max. power at sample 280mW - Video camera for in-situ observation - Two optical fiber probes - Temperatures up to 220°C Typical uses: -In-situ studies of reactive intermediates in solution phase syntheses -Ordinary Raman uses for the second probe Anticipated cost to use : Availability to Actinide - 100% Current Location- Not delivered Permanent Location – 303 Stinson-Remick Picture of instrument Picture of results from instrument Wavenumber cm -1 UnitND AssistedND UnassistedExternal hour day