Table 2 The formation energy of neutral halogen dopants in interstitial and oxygen position.
From: Optimization of the hydrogen response characteristics of halogen-doped SnO2
Defect case | Formation energy (eV) |
|---|---|
Fi:SnO2 | 1.20 |
Fo:SnO2 | 0.46 |
Cli:SnO2 | 5.10 |
CloSnO2 | 3.05 |
Bri:SnO2 | 5.97 |
Bro:SnO2 | 4.43 |
Ii:SnO2 | 7.28 |
Io:SnO2 | 6.80 |
