Research Article
Evolution Mechanism of Metallic Dioxide MO2 (M = Mn, Ti) from Nanorods to Bulk Crystal: First-Principles Research
Table 2
Predicted DFT + TS, experimental and theoretical lattice parameters for rutile TiO2.
| TiO2 | (Å) | (Å) | (Å) |
| This work | 4.62 | 4.62 | 2.95 | Ref. [16] | 4.61 | 4.61 | 2.97 | Exp. [21] | 4.58 | 4.58 | 2.95 |
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