CPL - Chalmers Publication Library
| Utbildning | Forskning | Styrkeområden | Om Chalmers | In English In English Ej inloggad.

Local and average atomic order of ion-conducting Bi0.775La0.225O1.5 studied by neutron scattering and reverse Monte Carlo simulations

A Ahi ; A Mellergård ; Sten G. Eriksson (Institutionen för kemi- och bioteknik, Oorganisk miljökemi)
SOLID STATE IONICS 177 (3-4): 289-297 JAN 31 2006 (ISSN: 0167-2738 ). Vol. 177 (2006), p. 289-297.
[Artikel, refereegranskad vetenskaplig]

Bi0.775La0.225O1.5 has been investigated by means of neutron scattering in combination with Rietveld refinement and reverse Monte Carlo (RMC) simulations to study the average and local atomic order of the material. At low temperature the crystallographic analysis shows a clear split of anionic positions similar to that reported for Sr doped bismuth oxides. Although this split appears to be absent in the average structure at high temperature, an even larger split of Bi-O local distances is found in the pair distribution function calculated from the RMC models. This latter feature can be indicative of a tendency to have similar oxygen environments for all Bi atoms at high temperature, as a precursor of the fluorite structure that is the stable phase at even higher temperatures. (c) 2005 Elsevier B.V. All rights reserved.

Nyckelord: Author Keywords: bismuth oxide; ionic conductivity; lanthanum doping; reverse Monte Carlo; local structure; neutron diffraction

Sten Eriksson, Department of Chemical and Biological Engineering, Environmental Inorganic Chemistry, stene@chalmers.se

Denna post skapades 2007-01-30. Senast ändrad 2010-01-26.
CPL Pubid: 26131


Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)



Chalmers infrastruktur