Argonne National Laboratory

Research Highlight | Materials Science

Diffuse scattering imaging of short-range ionic correlations
In a study published in Nature Materials, researchers describe a new scattering technique to probe the structural evolution of cathode materials to inform creation of better battery materials.
The structure of NaₓV₂O₅ consists of a framework of V-O polyhedra that allows sodium ions to occupy positions that form double-legged ladders, shown as green spheres. The 3D-ΔPDF analysis (top right) of diffuse scattering (bottom) shows that the sodium ions form ordered zig-zag chains at low temperature (top left).

Scientific Achievement

Novel diffuse scattering techniques reveal the presence of short-range ionic order upon intercalation in an archetypical cathode material.

Significance and Impact

Understanding of how order-disorder transitions limit ionic transport is paramount in designing materials with improved properties.

Research Details

  • Single crystal diffuse scattering measurements were performed on the cathode material, Na0.45V2O5.
  • Measurements over large volumes of reciprocal space enabled transformation into pair distribution functions that reveal short-range order in real space (3D-ΔPDF).
  • The 3D-ΔPDF directly shows the formation of ordered zig-zag chains of Na-ions within the vanadium oxide matrix.
  • Such atomic ordering of intercalant ions disrupts ionic mobility and hence is detrimental to battery performance.

DOI: 10.1038/s41563-019-0500-7

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