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Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated

Troels Lindahl Christiansen1, Emil T S Kjær1, Anton Kovyakh2,3

  • 1Department of Chemistry and Nanoscience Center, University of Copenhagen, Copenhagen, DK-2100, Denmark.

Journal of Applied Crystallography
|February 13, 2020
PubMed
Summary

X-ray total scattering reveals the complex structure of molybdenum oxide catalysts. This technique provides insights into disordered molybdenum oxide domains on supports, crucial for industrial catalysis.

Keywords:
automated modellingmolybdenum oxidesnanostructurepair distribution function analysissupported catalysts

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Area of Science:

  • Materials Science
  • Catalysis
  • Nanotechnology

Background:

  • Molybdenum oxides and sulfides are vital catalysts for industrial processes.
  • Characterizing the small, disordered domains of these materials on supports is challenging.

Purpose of the Study:

  • To apply X-ray total scattering and differential pair distribution function (d-PDF) analysis for structural characterization of supported molybdenum oxide catalysts.
  • To elucidate the structural motifs of hydrated molybdenum oxide layers on alumina nanoparticles and zeolites.

Main Methods:

  • X-ray total scattering experiments.
  • Differential pair distribution function (d-PDF) analysis.
  • Analysis of PDF data using a large set of automatically generated polyoxometalate cluster structures.

Main Results:

  • The structure of hydrated molybdenum oxide layers resembles disordered, polydisperse polyoxometalates.
  • d-PDF analysis successfully isolated structural information of the supported molybdenum oxide.
  • Structural motifs within the supported MoO domains were identified.

Conclusions:

  • X-ray total scattering with d-PDF analysis is a powerful method for characterizing challenging catalyst structures.
  • The findings provide a deeper understanding of molybdenum oxide catalysts, aiding in the design of improved catalytic materials.