DOI > 10.5291/ILL-DATA.5-25-269

This proposal is publicly available since 01/14/2025

Title

In-situ neutron diffraction study of BaCe0.4Zr0.4Y0.2O3-d proton conducting perovskite

Abstract

BaZrO3 and BaCeO3-based materials have potential application as electrolytes for solid oxide fuel cells (SOFCs) and electrolizer (SOECs) due to lower operating temperatures and higher efficencies with respect to commercial electrolytes. Also, these materials have been proposed as isotopic separation membranes and water sensors. The understanding of protonic defect mobilities and lattice distortions are crucial to develop materials with high protonic conduction. Thus, for the BaCe0.4Zr0.4Y0.2O3-d perovskite we propose: -to study phase transition from rhombohedral to cubic symmetry between 400 and 600 °C. This phase transition, associated to sample dehydration, was not observed by XRD techniques. -to determine the structural features, particularly deuterium positions and occupations in the lattice, as well as oxygen related parameters, by obtaining high quality NPD patterns of wet (deuterated) and dry sample at 4 and 298 K under He atmosphere using a cryostat and vanadium sample holder and under wet (D2O vapor) and dry atmospheres between 298 and 1073 K. Comments: This is resubmission of proposal 5-25-268, the requested instruments were very heavily overloaded during this round.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

ALONSO Jose Antonio; ARCE Mauricio; BASBUS Juan Felipe; CUELLO Gabriel; FERNANDEZ DIAZ Maria Teresa; GAMBA Nadia; GONZALEZ Miguel Angel and Catalina E. Jiménez. (2019). In-situ neutron diffraction study of BaCe0.4Zr0.4Y0.2O3-d proton conducting perovskite. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-25-269

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Metadata

Experiment Parameters

  • Environment temperature

    4 K, and 298 to 1073 K
  • Experiment energy

    1.594 A D2B
  • Experiment res energy

    0.0008 A

Sample Parameters

  • Formula

    • BaCe0.4Zr0.4Y0.2O3