Quasielastic neutron scattering of hydrated BaZr(0.90)A(0.10)O(2.95) (A = Y and Sc)

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Proton motions in hydrated proton conducting perovskites BaZr(0.90)A(0.10)O(2.95) (A = Y and Sc) have been investigated using quasielastic neutron scattering. The results reveal a localized motion on the ps time scale and with an activation energy of similar to 10-30 meV, in both materials. The temperature dependence of the total mean square displacement of the protons shows an onset of this motion at a temperature of about 300 K. The low activation energy, much lower than the activation energy for the macroscopic proton conductivity, suggests that this motion is not the rate-limiting process for the long-range proton diffusion, i.e. it is not linked to the two materials significantly different proton conductivities. In fact, a comparison of the QENS results with density functional theory calculations indicates that for both materials the observed motion may be ascribed to intra-octahedral proton transfers occurring close to a dopant atom. (C) 2008 Elsevier B.V. All rights reserved.


  • Maths Karlsson
  • Aleksandar Matic
  • Dennis Engberg
  • Marten E. Bjorketun
  • Michael M. Koza
  • Istaq Ahmed
  • Goeran Wahnstroem
  • Lars Borjesson
  • Sten-G. Eriksson

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Naturvetenskap
  • Fysik


Sidor (från-till)22-28
TidskriftSolid State Ionics
Utgåva nummer1
StatusPublished - 2009
Peer review utfördJa