Table 1 HOMOs, LUMOs, band gap energies, and quantum yield values of AB, PANI-AB, PNA-AB, PLu-AB and PPd –AB.
Sample | HOMO (eV) | LUMO (eV) | Band gap (eV) | λmax (UV absorption) | Oscillator strength | λem (fluorescence) | Quantum yield (ϕ) | ||
|---|---|---|---|---|---|---|---|---|---|
Exp. | Theor. | Exp. | Theor. | ||||||
AB | −14.56 | −3.79 | 10.77 | 285 | 290 | 0.25 | 0.26 | — | — |
PANI-AB | −7.29 | −1.74 | 5.50 | 400 | 400 | 0.83 | 0.85 | 570 | 0.68 |
PNA-AB | −6.46 | −1.99 | 4.47 | 450 | 460 | 0.84 | 0.85 | 530 | 0.64 |
PLu-AB | −5.20 | −1.25 | 3.95 | 280 | 270 | 1.3 | 1.6 | 530 | 0.66 |
PPd-AB | −6.98 | −2.07 | 4.89 | 370 | 400 | 0.32 | 0.34 | 570 | 0.69 |
