Atomic structure of a Σ3 [110]/(111) grain boundary in CeO2

The atomic structure of a Σ3 [110]/(111) grain boundary in CeO2 was studied by scanning transmission electron microscopy, electron energy loss spectroscopy, and the first-principles calculations. It was revealed that this grain boundary does not promote the formation of oxygen vacancies and keeps oxygen stoichiometry, which is different from that of Σ5 CeO2 grain boundary studied previously [H. Hojo, T. Mizoguchi, H. Ohta, S. D. Findlay, N. Shibata, T. Yamamoto, and Y. Ikuhara, Nano Lett. 10, 4668 (2010)]. It was found that the difference in grain boundary oxygen stoichiometry is correlated with the grain boundary atomic structure.