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Understanding Local Structures of Amorphous Materials through PDF Analysis: Toward Battery and Catalyst Applications, K. Ohara (Shimane Univ.)

Recent studies have revealed that local structural fluctuations and amorphous structures, which cannot be described by average crystal structures alone, play key roles in ion transport and catalytic reactions in energy materials such as all-solid-state batteries and water electrolysis catalysts. While conventional Bragg diffraction mainly probes average structures, total scattering and Pair Distribution Function (PDF) analysis provide real-space information on local atomic arrangements in crystalline, glassy, amorphous, and nanocrystalline materials. This presentation introduces the fundamentals of PDF analysis, high-energy X-ray total scattering using synchrotron radiation, and recent developments in operando measurements. Case studies include Li-ion transport in Li₃PS₄ glass electrolytes and reaction-induced local structural changes in SrIrO₃ oxygen evolution catalysts. The results demonstrate how PDF analysis can reveal local structural physics hidden from conventional average-structure analysis. The presentation is intended as an accessible introduction for students and non-specialists interested in energy materials research.