IMI Interdisciplinary Mathematics InstituteCollege of Arts and Sciences

New Frontiers in Imaging and Sensing

Doug Blom & Thomas Vogt
University of South Carolina

Multislice Frozen Phonon HAADF Image Simulations of MoVNbTeO Complex Oxidation Catalyst 'M1'

  • Authors: Doug Blom & Thomas Vogt
  • Feb. 18, 2011
  • 10:30 a.m.
  • Sumwalt 102

We have recently reported on the analysis of the structure and composition of a complex oxide catalyst phase using aberration-corrected HAADF imaging. Good agreement with existing Rietveld refinement models of the structure from combined synchrotron X-ray and neutron powder diffraction were found. To date, detailed image simulations of the structure have been lacking. Frozen phonon multislice image simulations of the structure will be reported. The dependency of the image simulations on detector geometry, Debye-Waller factors, and number of phonon configurations will be discussed. Sensitivity of the HAADF STEM technique to partial cation disorder for Mo-V-O columns sets a lower limit for HAADF STEM to extract meaningful data on occupancy.

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