Table 1. Correlation between the degree of distortion and the oxygen vacancy concentrations in each model GB.
GB type | Structural distortion [nm−2] |
Oxygen vacancy densities | |
---|---|---|---|
Stoichiometric | Nonstoichiometric | ||
Σ3[110]/{111} | 8.5a | — | 0 |
Σ9[110]/{221} | 13.8 | — | 0 |
Σ11[110]/{332} | 14.8 | 11.1 | 1.5 |
Σ13[001]/{510} | 16.1 | 9.4 | 2.7 |
Σ5[001]/{210} | 17.8a | 13.9b | 3.0b |
The density of oxygen coordination deficient sites projected to each GB plane was calculated as a measure of structural distortion for both the stoichiometric GB and nonstoichiometric GB, while the density of oxygen vacancy projected to each GB plane obtained from EELS was shown as a measure of oxygen vacancy concentrations.
adata from ref. 20.
bdata from ref. 19.