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On the Complex Structural Picture of the Ionic Conductor Sr6Ta2O11

On the Complex Structural Picture of the Ionic Conductor Sr6Ta2O11

Kategori
Vitenskapelig artikkel
Sammendrag
Sr6Ta2O11 presents an interesting model system of a highly defective and disordered complex perovskite, exhibiting oxide ion conductivity at high temperatures as well as proton conductivity when hydrated by presence of water vapor. In this paper, we present a comprehensive structural study of Sr6Ta2O11 in its dry and hydrated state, based on DFT calculations and NPD measurements. At low temperatures, dry Sr6Ta2O11 has a tetragonal symmetry with ordered oxygen vacancies. The oxygen vacancy induces perturbations to its near surroundings, disturbing particularly the A site cations. As a consequence, the elaborate structural picture collapses at higher temperatures. The high-temperature structure has a cubic symmetry with fractionally occupied structural oxygen sites and disorder on the oxygen and strontium sublattices. The structure of the fully hydrated compound Sr6Ta2O10(OH)2 was determined as monoclinic with significant distortions of the anion and metal cation sites.
Oppdragsgiver
  • Research Council of Norway (RCN) / 171157
  • Research Council of Norway (RCN) / NN2615K
Språk
Engelsk
Forfatter(e)
  • Niina Henrietta Jalarvo
  • Simone Casolo
  • Nadir Aliouane
  • Dirk Wallacher
  • Ole Martin Løvvik
  • Truls Norby
Institusjon(er)
  • Universitetet i Oslo
  • Forschungszentrum Jülich
  • Università degli Studi di Milano
  • Institutt for energiteknikk
  • Helmholtz-Zentrum Berlin
  • SINTEF Industri / Bærekraftig energiteknologi
År
Publisert i
Journal of Physical Chemistry C
ISSN
1932-7447
Forlag
American Chemical Society (ACS)
Årgang
117
Hefte nr.
19
Side(r)
9543 - 9549