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...
|Journal Title:||Journal of Fuel Cell Science and Technology Vol. 12; no. 2|
|Authors:||Amy Fleischer, S. P. Miller, B. I. Dunlap|