Atomic structure of a CeO2 grain boundary: the role of oxygen vacancies.
Determining both cation and oxygen sublattices of grain boundaries is essential to understand the properties of oxides. Here, with scanning transmission electron microscopy, electron energy-loss spectroscopy, and first-principles calculations, both the Ce and oxygen sublattices of a (210)Σ5 CeO(2) grain boundary were determined. Oxygen vacancies are shown to play a crucial role in the stable grain boundary structure. This finding paves the way for a comprehensive understanding of grain boundaries through the atomic scale determination of atom and defect locations.
Hojo
Hajime
H
Institute of Engineering Innovation, School of Engineering, The University of Tokyo, Tokyo 113-8656, Japan.
Mizoguchi
Teruyasu
T
Ohta
Hiromichi
H
Findlay
Scott D
SD
Shibata
Naoya
N
Yamamoto
Takahisa
T
Ikuhara
Yuichi
Y
D002563:Cerium / Q000737:chemistry*; D003198:Computer Simulation; D008422:Materials Testing; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D010100:Oxygen / Q000737:chemistry*; D044367:Phase Transition
D002563:Cerium; C030583:ceric oxide; D010100:Oxygen