Significant improvement of dye-sensitized solar cell performance using simple phenothiazine-based dyes

A series of simple phenothiazine-based dyes have been synthesized, in which a cyanoacrylate acceptor directly attached to the C(3) position of phenothiazine, and an additional linear electron-rich (4-hexyloxy)phenyl group at C(7) on the opposite side of the acceptor, and an alkyl chain with different length at N(10) of the phenothiazine periphery are presented. The dye molecules have a linear shape which is favorable for the formation of a compact dye layer on the TiO₂ surface, while their butterfly conformations can sufficiently inhibit molecular aggregation. Moreover, the structural features of (4-hexyloxy)phenyl donor moiety at the C(7) position of phenothiazine extends the π-conjugation of the chromophore, thus enhancing the performance of dye-sensitized solar cells (DSSCs). Moreover, the alkyl substituents with different chain length at the N(10) atom of phenothiazine could further optimize the performance through completely shielding the surface of TiO₂ from the I^-/I^3- electrolyte and subsequently reducing the leakage of dark current. Under simulated AM 1.5G irradiation, the PT-C6 based DSSC produces a short-circuit photocurrent of 15.32 mA cm^-2, an open-circuit photovoltage of 0.78 V, a fill factor of 0.69, corresponding to a power conversion efficiency (PCE) of 8.18%, which exceeds the reference N719 (7.73%) under identical fabrication conditions. Notably, the designed molecular structure represents the highest photovoltaic conversion efficiency value when compared with other reported phenothiazine-derived dyes.