Modulated structure determination and ion transport mechanism of oxide-ion conductor CeNbO_4+δ.

ABSTRACT: CeNbO_4+δ, a family of oxygen hyperstoichiometry materials with varying oxygen content (CeNbO₄, CeNbO_4.08, CeNbO_4.25, CeNbO_4.33) that shows mixed electronic and oxide ionic conduction, has been known for four decades. However, the oxide ionic transport mechanism has remained unclear due to the unknown atomic structures of CeNbO_4.08 and CeNbO_4.33. Here, we report the complex (3 + 1)D incommensurately modulated structure of CeNbO_4.08, and the supercell structure of CeNbO_4.33 from single nanocrystals by using a three-dimensional electron diffraction technique. Two oxide ion migration events are identified in CeNbO_4.08 and CeNbO_4.25 by molecular dynamics simulations, which wa

SUBMITTER: Li J 

PROVIDER: S-EPMC7506534 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature