Photocatalytical Properties and Theoretical Analysis of N, Cd-Codoped TiO₂ Synthesized by Thermal Decomposition Method

Table 2

Formation energies and optimized structural parameters for pure and N, Cd codoped TiO₂.

	𝐸𝑓 (eV)	Bond length (Å)		O–Ti–O(N) bond angle (°)
		Ti–O	Ti–N	—
Pure TiO2	—	1.9543	—	160.503	102.154
Ti32CdO63N	3.630	1.9585	1.8976	163.055	90.353