Quasielastic neutron scattering of hydrated BaZr_{0.90}A_{0.10}O_{2.95} (A = Y and Sc)

Details Quasielastic neutron scattering of hydrated BaZr_{0.90}A_{0.10}O_{2.95} (A = Y and Sc) Quasielastic neutron scattering of hydrated BaZr_{0.90}A_{0.10}O_{2.95} (A = Y and Sc)

2008-02-07

arxiv.org/abs/0802.0924v1

Physics

Condensed Matter

Materials Science

8 pages, 7 figures, 2 tables

Scientific paper

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 ~10-30 meV, in both materials. The temperature dependence of the total mean square displacement of the protons suggests an onset of this motion at a temperature of about 300 K. Comparison of the QENS results to density functional theory calculations suggests that for both materials this motion can be ascribed to intra-octahedral proton transfers occurring close to a dopant atom. The low activation energy, more than ten times 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.

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