Using Neutron Spin-Echo To Investigate Proton Dynamics in Proton-Conducting Perovskites
Artikel i vetenskaplig tidskrift, 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

sc

Författare

Maths Karlsson

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Dennis Engberg

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Mårten Björketun

Chalmers, Teknisk fysik, Material- och ytteori

Aleksandar Matic

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Göran Wahnström

Chalmers, Teknisk fysik, Material- och ytteori

Per G. Sundell

Chalmers, Teknisk fysik, Material- och ytteori

P. Berastegui

Arrhenius Laboratory

Istaq Ahmed

Chalmers, Kemi- och bioteknik, Oorganisk miljökemi

P. Falus

Institut Laue-Langevin

B. Farago

Institut Laue-Langevin

Lars Börjesson

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Sten Eriksson

Chalmers, Kemi- och bioteknik, Oorganisk miljökemi

Chemistry of Materials

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

Vol. 22 3 740-742

Ämneskategorier

Fysikalisk kemi

Styrkeområden

Materialvetenskap

DOI

10.1021/cm901624v