Research Article
Oxygen Dependence of Formation, Electronic State Transition, and Spin Polarization for Anatase TiO2: A Comprehensive Study
Table 4
Bond length for bli and bond strength of Ti-O for intrinsic anatase TiO2 and oxygen-defected anatase TiO2.
| O content/% | Bond length for bli/Å bl1/bl2/bl3/bl4 Bl5/bl6 | Bond strength |
| 0 | 1.952/1.953/1.953/1.954 | 0.69 | 1.984/1.989 | 0.29 | 3.125 | 1.886/1.889/1.903/1.958 | 0.44/0.42/0.41/0.37 | 1.891/2.033 | 0.34/0.23 | 6.25 | 1.898/1.899/1.928/1.938 | 0.75/0.43/0.43/0.39 | 1.910/2.019 | 0.37/0.2 | 12.5 | 1.932/1.934/1.941/1.950 | 0.72/0.72/0.69/0.29 | 1.977/2.002 | 0.28/0.27 |
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