Defect Structure of Y‑Doped Ceria on Different Length Scales

Abstract

An exhaustive structural investigation of a Y-doped ceria (Ce_1–<i>x</i>Y_<i>x</i>O_{2–<i>x</i>/2}) system over different length scales was performed by combining Rietveld and Pair Distribution Function analyses of X-ray and neutron powder diffraction data. For low doping amounts, which are the most interesting for application, the local structure of Y-doped ceria can be envisaged as a set of distorted CeO₂- and Y₂O₃-like droplets. By considering interatomic distances on a larger scale, the above droplets average out into domains resembling the crystallographic structure of Y₂O₃. The increasing spread and amount of the domains with doping forces them to interact with each other, leading to the formation of antiphase boundaries. Single phase systems are observed at the average ensemble level