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. 2021 Mar 18;12(11):3019–3025. doi: 10.1021/acs.jpclett.1c00262

Table 2. Information from the Comparison of Contours Resulting from SE-DRS and RDB-PAS.

titaniaa crystalb bandgap energy (eV) SE-DRS (V vs SHE) ΔEc (V vs SHE) correction (1)d correction (2)e correction (3)f ΔEcorr (V vs SHE)
TIO-3 R 2.98 –0.88 2.10 –0.15 0   1.95
(T)TR R 2.96 –0.92 2.04 –0.15 0   1.89
MT-150A R 3.02 –0.85 2.17 –0.15 0 –0.10 1.92
TIO-6 R 3.02 –0.60 2.42 –0.15 0 –0.10 2.17
TIO-13 A 3.19 –0.91 2.28 –0.15 0   2.13
TIO-1 A 3.20 –0.62 2.58 –0.15 0   2.43
TIO-2 A 3.14 –0.90 2.24 –0.15 0   2.09
ST-01 A 3.17 –0.68 2.49 –0.15 0 –0.20 2.14
(T)AK-1 A 3.17 –0.81 2.36 –0.15 0 –0.10 2.11
CR-EL R/a 2.97 –1.15 1.82 –0.15 0.20   1.87
ST-G2 R/a 2.95 –1.04 1.91 –0.15 0.20   1.96
TIO-5 R/a 2.96 –1.06 1.90 –0.15 0.20   1.95
ST-F1 A/r 3.02 –1.08 1.94 –0.15 0.20   1.99
TIO-11 A/r 3.14 –1.00 2.14 –0.15 0.20 –0.10 2.09
P25 A/r 3.05 –1.46 1.59 –0.15 0.20   1.64
ST-F5 A/r 3.17 –0.75 2.42 –0.15 0.20 –0.10 2.37
                2.02h
a

(T), Tronox.

b

R, rutile (major); A, anatase (major); r, rutile (minor); and a, anatase (minor).

c

Potential of VBT calculated as (bandgap energy) + (SE-DRS).

d

Correction for overestimation of CBB position by VBT and high DOS part (= –0.15 eV) in RDB-PAS measurement.

e

Correction for underestimation of CBB position by interfacial charge-transfer excitation (ICTE) in anatase-rutile mixture (= 0.20 eV) in RDB-PAS measurement.

f

Correction for widened band gap due to surface amorphasization (= ∼–0.10 eV) in RDB-PAS measurement.

g

Average of ΔEcorr values.