Dopant clustering and correlated oxygen migration in conditionally stabilized zirconia electrolytes

Molecular dynamics (MD) simulation of yttria/scandia-stabilized zirconia (SSZ) with variably distributed Y/Sc dopant ions shows that energy is minimized when the dopants are uniformly spread apart, provided that the lattice maintains cubic fluorite symmetry. In contrast, highly clustered dopants are...

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Journal Title: Journal of Fuel Cell Science and Technology Vol. 12; no. 2
Authors: Amy Fleischer, S. P. Miller, B. I. Dunlap
Format: Article
Language: English
Published: 2015