Using Neutron Spin-Echo To Investigate Proton Dynamics in Proton-Conducting Perovskites
Journal article, 2010

The applicability and potential of neutron spin-echo (NSE) to study proton dynamics in proton-conducting ceramics was studied. The experiment was performed on hydrated BaZr 0,90 Y 0.10 O 2.95 (10Y:BZO), a cubic perovskite with a relatively high proton conductivity. The NSE experiment was performed at the IN15 spectrometer at Institut Laue-Langevin (ILL) in Grenoble, France. The relaxation rate for two Q-values for the temperature 563 K was determined. The first-principles calculations were carried out within the framework of density functional theory (DFT). The calculated diffusion harriers far from Y-dopants are found to he 0.20 and 0.18 eV for the proton transfer and hydroxyl rotation motion, respectively. The binding energy to a Y-dopant is 0.16 eV, and the influence of the Y-dopant on the energetics for the proton is quite extended in space, including both the first and the second coordination shells.

solubility

ga

oxides

srce0.95yb0.05h0.02o2.985

diffusion

scattering

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Author

Maths Karlsson

Chalmers, Applied Physics, Condensed Matter Physics

Dennis Engberg

Chalmers, Applied Physics, Condensed Matter Physics

Mårten Björketun

Chalmers, Applied Physics, Materials and Surface Theory

Aleksandar Matic

Chalmers, Applied Physics, Condensed Matter Physics

Göran Wahnström

Chalmers, Applied Physics, Materials and Surface Theory

Per G. Sundell

Chalmers, Applied Physics, Materials and Surface Theory

P. Berastegui

Arrhenius Laboratory

Istaq Ahmed

Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry

P. Falus

Institut Laue-Langevin

B. Farago

Institut Laue-Langevin

Lars Börjesson

Chalmers, Applied Physics, Condensed Matter Physics

Sten Eriksson

Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry

Chemistry of Materials

0897-4756 (ISSN) 1520-5002 (eISSN)

Vol. 22 3 740-742

Subject Categories

Physical Chemistry

Areas of Advance

Materials Science

DOI

10.1021/cm901624v

More information

Created

10/7/2017