Table 1 Summary of the parameters of Ti2O3 polymorphs
From: Electronic-reconstruction-enhanced hydrogen evolution catalysis in oxide polymorphs
Polymorphism | α-Ti2O3 | o-Ti2O3 | γ-Ti2O3 |
Structure | Trigonal | Orthorhombic | Cubic |
Space group | R \(\bar 3\) c | Immm | Fd \(\bar 3\) m |
Z | 6 | 2 | 8 |
Lattice parameters | a = 5.15 Å | a = 9.39 Å | a = 8.53 Å |
b = 5.15 Å | b = 4.42 Å | b = 8.53 Å | |
c = 13.64 Å | c = 2.81 Å | c = 8.53 Å | |
α = 90˚ | α = 90˚ | α = 90˚ | |
β = 90˚ | β = 90˚ | β = 90˚ | |
γ = 120˚ | γ = 90˚ | γ = 90˚ | |
V (Å3) | 313.22 | 116.63 | 620.65 |
U (eV) | 0.85 | 1.01 | 1.10 |
Δ (eV) | 4.78 | 4.48 | 4.37 |
H.F. | 9.03 | 9.18 | 9.51 |
S.T. | p | n | n |
ρ (Ω·cm) | 2.22 × 10−4 | 3.01 × 10−4 | 1.31 × 10−4 |
n (cm−3) | 1.15 × 1021 | 2.06 × 1022 | 3.23 × 1022 |
μ (cm2 V−1·s−1) | 24.44 | 1.01 | 1.48 |
Ed (eV) | −1.39 | −1.53 | −1.97 |
ΔGH* (eV) | −0.763 | −0.593 | −0.376 |
Overpotential (V) | 0.495 | 0.442 | 0.271 |
