Fersiynau electronig

Dangosydd eitem ddigidol (DOI)

  • Hiromasa Shiiba
  • Clare L. Bishop
  • Michael J. D. Rushton
    Grand Challenges in Ecosystem and the Environment Initiative, Imperial College London, Silwood Park Campus, Ascot, Berkshire SL5 7PY, UK alexander.papadopulos@plants.ox.ac.uk.
  • Masanobu Nakayama
  • Masayuki Nogami
  • John A. Kilner
  • Robin W. Grimes
Molecular dynamics simulations of the effect of A-site cation disorder on oxygen diffusion in (Ba0.5Sr0.5)CoO2.5, (Ba0.5Sr0.5)FeO2.5 and (Ba0.5Sr0.5)Co0.8Fe0.2O2.5 were conducted to understand the oxygen diffusion mechanism. The diffusion coefficients of oxygen were strongly dependent upon the degree of A-site Ba/Sr cation ordering. The oxygen diffusion coefficient decreased and the oxygen diffusion activation energy increased with Ba/Sr cation ordering in the alternating (001) layers of the perovskite structure. The ordering of Ba/Sr cations also caused oxygen/vacancy ordering. In particular, vacancy location in the oxygen layers parallel to the Ba-rich layers significantly increased oxygen diffusivity in BSCF-related materials.
Iaith wreiddiolAnadnabyddus
Tudalennau (o-i)10345-10352
Nifer y tudalennau8
CyfnodolynJournal of Materials Chemistry A
Cyfrol1
Rhif y cyfnodolyn35
Dynodwyr Gwrthrych Digidol (DOIs)
StatwsCyhoeddwyd - 2013
Cyhoeddwyd yn allanolIe
Gweld graff cysylltiadau