Bragg reflections in Y-resonant x-ray diffractograms of BaZr0.9Y0.1O2.95 (BZY10) reveal that Y is organized in a superstructure. Comparison with neutron diffraction superstructure reflections in protonated/deuterated BZY10 suggests that both superstructures are linked, and that protons move in the landscape imposed by the Y. The thermal lattice expansion decreases abruptly for protonated BZY10 at T≥648±20 K, coinciding with the onset of lateral proton diffusion and suggesting a correlation of structural changes and proton conductivity. The chemical shift in the Y L1-shell x-ray absorption spectra reveals a reduction from Y3+ toward Y2+ upon protonation.
- Ceramics; Molecular dynamics; Molecular structure; Perovskite; Proton transfer reactions; Solid state proton conductors
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