Table 3 Chemical reactivity descriptors of MS-1-2 sensitizers.
From: Tandem dye-sensitized solar cells achieve 12.89% efficiency using novel organic sensitizers
Dye | HOMO (eV) | LUMO (eV) | E0−0 (eV) | IP (eV) | EA (eV) | η (eV) | χ (eV) | µ (eV) | S (eV) | ω (eV) | ω+ (eV) | ω− (eV) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
MS-1 | -5.35 | -3.63 | 1.72 | 5.35 | 3.63 | 0.86 | 4.49 | -4.49 | 1.16 | 11.91 | 9.76 | 14.26 |
MS-2 | -5.49 | -3.65 | 1.84 | 5.49 | 3.65 | 0.92 | 4.55 | -4.55 | 1.08 | 11.21 | 9.05 | 13.60 |
