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

Karlsson, Maths LU ; Matic, Aleksandar ; Engberg, Dennis ; Bjorketun, Marten E. ; Koza, Michael M. ; Ahmed, Istaq ; Wahnstroem, Goeran ; Borjesson, Lars and Eriksson, Sten-G. (2009) In Solid State Ionics 180(1). p.22-28
Abstract
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... (More)
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. (Less)
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Proton conducting, Perovskite, Quasielastic neutron scattering
in
Solid State Ionics
volume
180
issue
1
pages
22 - 28
publisher
Elsevier
external identifiers
  • wos:000264538600005
  • scopus:58949095743
ISSN
0167-2738
DOI
10.1016/j.ssi.2008.11.004
language
English
LU publication?
yes
id
b324a48f-70ce-4af7-86e6-a11e6635eced (old id 1401319)
date added to LUP
2016-04-01 12:34:27
date last changed
2025-04-04 14:50:32
@article{b324a48f-70ce-4af7-86e6-a11e6635eced,
  abstract     = {{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.}},
  author       = {{Karlsson, Maths and Matic, Aleksandar and Engberg, Dennis and Bjorketun, Marten E. and Koza, Michael M. and Ahmed, Istaq and Wahnstroem, Goeran and Borjesson, Lars and Eriksson, Sten-G.}},
  issn         = {{0167-2738}},
  keywords     = {{Proton conducting; Perovskite; Quasielastic neutron scattering}},
  language     = {{eng}},
  number       = {{1}},
  pages        = {{22--28}},
  publisher    = {{Elsevier}},
  series       = {{Solid State Ionics}},
  title        = {{Quasielastic neutron scattering of hydrated BaZr(0.90)A(0.10)O(2.95) (A = Y and Sc)}},
  url          = {{http://dx.doi.org/10.1016/j.ssi.2008.11.004}},
  doi          = {{10.1016/j.ssi.2008.11.004}},
  volume       = {{180}},
  year         = {{2009}},
}