Crystal Structure and Electron Density Distribution Analyses of Nd<i>_x</i>Ce₁₋<i>_x</i>O_{2−<i>&delta;</i>} for Electrolyte by Rietveld/Maximum Entropy Method

Abstract

We carried out the X-ray diffraction studies on the crystal structure and electron density distribution of Nd-doped CeO2 which is considered the candidate material as an electrolyte for solid oxide fuel cell by the combination of Rietveld refinement and maximum entropy method. We determined those crystal structural parameters with the space group, F m3m, which is the same as pure CeO2. The Ce and Nd ions randomly occupied the 4a site and O ion preferentially occupied the 8c site in NdxCe1−xO 2−δ . We observed the distribution of the electron conduction pathway through the 4a-8c and 8c-8c sites.