Influence of atmosphere on redox structure of BaCe0.9Y0.1O2.95 - Insight from neutron diffraction study

Abul K. Azad*, Angela Kruth, John T. S. Irvine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

38 Citations (Scopus)

Abstract

High-resolution neutron powder diffraction data were collected at different temperatures and pressure under hydrogen or oxygen under high and low humidities. The samples were loaded in sealed quartz tubes in dry or wet conditions at 0.33 atm pressure and 295 K temperature, and heated up to 973 K during measurements. Rietveld refinement of neutron diffraction data showed that the structure changed from primitive orthorhombic (space group Pbnm) to body centred orthorhombic (Imma) to rhombohedral (R-3c) on heating from room temperature to 973 K. At 623 K temperature and 0.71 atm pressure, the unit-cell volume is higher in wet hydrogen and oxygen atmosphere than dry atmosphere due to proton uptake. Oxygen site occupancies were directly determined as functions of temperature for dry and wet conditions in both oxidising and reducing conditions in order to probe actual oxygen/hydroxyl contents under the conditions relevant to most fuel cell or transport studies. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

Original languageEnglish
Pages (from-to)12804-12811
Number of pages8
JournalInternational Journal of Hydrogen Energy
Volume39
Issue number24
Early online date7 Jul 2014
DOIs
Publication statusPublished - 13 Aug 2014

Keywords

  • Perovskite
  • Neutron diffraction
  • Proton conductor
  • Rietveld refinement
  • Structural phase change
  • DOPED BARIUM CERATE
  • PROTON CONDUCTIVITY
  • POWDER DIFFRACTION
  • PHASE-TRANSITIONS
  • CHEMICAL-STABILITY
  • PEROVSKITE
  • BACEO3
  • OXIDES
  • LOCATION
  • CONDUCTORS

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