Table 4 Structural properties of the TNAs structures derived from XRD patterns using Rietveld refinement method and Williamson-Hall plot: a0, b0, c0 – lattice constants, V – relative volume crystalline phase contribution, <D> – diameter of coherently-diffracting domains (CDD), ε – relative deformation of a crystal lattice.
Sample | Ti-α | TiO2 (Anatase) | TiO | Ti3O5 | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
a0 [Å] | c0 [Å] | V [%] | <D> [Å] | ε [%] | a0 [Å] | c0 [Å] | V [%] | <D> [Å] | ε [%] | a0 [Å] | V [%] | <D> [Å] | ε[%] | a0 [Å] | b0 [Å] | c0 [Å] | V [%] | <D> [Å] | ε [%] | |
Ref | 2.9495 | 4.6851 | 100 | 250 | −0.03 | — | — | — | — | — | — | — | — | — | — | — | — | — | — | — |
#1 | 2.9567 | 4.6906 | 8 | 180 | −0.23 | 3.684 | 9.614 | 31 | 71 | 0.42 | 4.0686 | 55 | 600 | 0.49 | 9.7150 | 3.7965 | 9.4092 | 6 | 220 | −0.10 |
#2 | 2.9473 | 4.6795 | 1 | 200 | −0.11 | 3.7764 | 9.4892 | 95 | 91 | −0.43 | 4.0715 | 3 | 890 | 0.23 | 9.6787 | 3.37989 | 9.4432 | 1 | 210 | −0.11 |
#3 | 2.9451 | 4.6705 | 6 | 170 | −0.23 | 3.7653 | 9.414 | 60 | 97 | −0.44 | 4.079 | 30 | 320 | 0.63 | 9.7332 | 3.8042 | 9.4416 | 4 | 280 | −0.06 |
#4 | 2.9491 | 4.681 | 12 | 150 | −0.24 | 3.7804 | 9.5003 | 55 | 340 | 0.21 | 4.0633 | 33 | 250 | 0.69 | — | — | — | — | — | — |
#5 | 0.9336 | 4.6891 | 5 | 130 | −0.33 | 3.7711 | 9.6140 | 72 | 100 | −0.37 | 4.0794 | 23 | 140 | −0.3 | — | — | — | — | — | — |