Research Article
Enhancing Charge Transfer and Photoelectric Characteristics for Organic Solar Cells
Table 6
Calculated optical properties and interfacial electron-transfer time
(fs) of the ZHG5/TiO
2 and Dye/TiO
2 complexes on S1 state.
| | Dyes | (eV) | (nm) | Contribution MO | Strength () | |
| | ZHG5/TiO2 | 2.59 | 478.48 | (37.65%) H ⟶ L | 1.740 | 5.2 | | ZHG5-1/TiO2 | 2.70 | 459.58 | (35.10%) H ⟶ L + 1 | 1.300 | 5.1 | | ZHG5-2/TiO2 | 2.60 | 478.20 | (47.76%) H ⟶ L | 1.613 | 4.7 | | ZHG5-3/TiO2 | 2.25 | 551.13 | (51.73%) H ⟶ L | 1.543 | 6.3 | | ZHG5-4/TiO2 | 2.56 | 484.71 | (25.30%) H ⟶ L | 1.338 | 4.4 | | ZHG5-5/TiO2 | 2.56 | 484.11 | (50.21%) H ⟶ L | 1.532 | 4.7 | | ZHG5-6/TiO2 | 2.21 | 559.92 | (55.41%) H ⟶ L | 1.480 | 5.5 | | ZHG5-7/TiO2 | 2.54 | 487.58 | (37.13%) H ⟶ L + 1 | 1.367 | 4.4 | | ZHG5-8/TiO2 | 2.59 | 479.27 | (48.80%) H ⟶ L | 1.581 | 4.6 | | ZHG5-9/TiO2 | 2.25 | 552.03 | (52.70%) H ⟶ L | 1.524 | 5.7 |
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