Framework defects in microporous materials

ORAL

Abstract

Zeolites are alumino-silicate microporous materials, having three-dimensionally connected frameworks of channels and cavities through which ions and molecules can flow. Because the atomic configuration of such a material strongly affects its useful properties, any defects present in the crystal structure will also impact those properties. Defects break the translational symmetry of a crystal, and thereby transfer scattered intensity out of the compact Bragg reflections and into a continuous but structured diffuse background, which appears as fuzzy streaks in CCD x-ray scattering images. Several zeolite analogs with the AFI framework type exhibit strong diffuse scattering patterns in addition to the expected Bragg scattering, leading us to believe that its framework structure is prone to topological defects. We are working to characterize these defects using single-crystal diffuse scattering data. We have generated a number of candidate defect models and calculated their corresponding diffuse scattering patterns in order to compare them against the experimental data. Ultimately, we aim to find an atomistic-defect model that accurately that explains the data.

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Authors

  • Nichole Maughan

    Brigham Young University

  • Andrew Polemi

    Utah State University, Brigham Young University, University of Pennsylvania, Lawrence Livermore National Laboratory, Los Alamos National Laboratory, High Altitude Observatory, University of Colorado at Boulder, Massachutes Institute of Technology, Utah Valley University, University of New Hampshire, Applied Physics Laboratory, Johns Hopkins University, University of Montana, Southwest Research Institute, University of Southern California, Lockheed Martin Advanced Technology Center, University of Chicago, Massachusetts Institute of Technology, SciPrint.org, Centre National de la Recherche Scientifique, Colorado State University, V. Alecsandri College, Bacau, Romania, Colorado School of Mines, National Renewable Energy Laboratory, Utah State University, Department of Physics, Brigham Young University, Provo, Huntsman Cancer Institute, Brigham Young University - Idaho, University of Arizona, Florida State University, Weber State University, Brigham Young University - Provo, New Mexico State University, Colorado State University, Fort Collins, CO 80523

  • Andrew Polemi

    Utah State University, Brigham Young University, University of Pennsylvania, Lawrence Livermore National Laboratory, Los Alamos National Laboratory, High Altitude Observatory, University of Colorado at Boulder, Massachutes Institute of Technology, Utah Valley University, University of New Hampshire, Applied Physics Laboratory, Johns Hopkins University, University of Montana, Southwest Research Institute, University of Southern California, Lockheed Martin Advanced Technology Center, University of Chicago, Massachusetts Institute of Technology, SciPrint.org, Centre National de la Recherche Scientifique, Colorado State University, V. Alecsandri College, Bacau, Romania, Colorado School of Mines, National Renewable Energy Laboratory, Utah State University, Department of Physics, Brigham Young University, Provo, Huntsman Cancer Institute, Brigham Young University - Idaho, University of Arizona, Florida State University, Weber State University, Brigham Young University - Provo, New Mexico State University, Colorado State University, Fort Collins, CO 80523

  • Branton Campbell

    Brigham Young University