Table 1:
Comparison of calculated band gaps of undoped rutile and anatase
T
i
O
2
with experimental and calculated values reported by others (
𝐸
B
G
is the direct band gap). From Wang and Lewis [
55
].
Source
𝐸
B
G
(rutile), eV
𝐸
B
G
(anatase), eV
Wang and Lewis
3.05
3.26
Experiments
3.06 [
56
]
3.20 [
58
], 3.42 [
59
]
Other calcns
2.00 [
57
], 1.78 [
60
]
2.22 [
60
], 2.00 [
46
]