Structural Disorder in Doped Zirconias, Part I: The Zr0.8Sc0.2-xYxO1.9 (0.0 ≤x ≤ 0.2) System

• The influence of local ordering of the anion vacancies and cation-anion vacancy interactions on the ionic conductivity of the anion-deficient fluorite Zr0.8Sc0.2-xYxO1.9 (0.0 directions. Significantly, an increased proportion of the oxygen vacancies are associated with the Zr4+ cations in Zr0.8Y0.2O1.9, while in Zr0.8Sc0.2O1.9 they show no significant preference for being nearest neighbor to a Sc3+ or a Zr4+ cation. Thus, it is concluded that the lower ionic conductivity at x = 0.2 is predominantly a consequence of the larger size of the Y3+ cation, which induces strain in the lattice and hinders diffusion of the O2-, rather than changes in the local ordering of the anion vacancies.

Ämnesord

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

Nyckelord

average structure

oxide-ion conductor

solid-solutions

structure

neutron-scattering

RMC and MD modeling

fuel-cells

defect

doped zirconia (ZrO2)

phase-relationships

SOFC electrolytes

neutron diffraction

elevated-temperatures

oxygen vacancy ordering

diffuse-scattering

yttria-stabilized zirconia

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