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