New Bithiazole-based Sensitizers for Efficient and Stable Dye-sensitized Solar Cells

A series of new push-pull organic dyes (BT-I-VI), incorporating electron-withdrawing bithiazole with a thiophene, furan, benzene, or cyano moiety, as π spacer have been synthesized, characterized, and used as the sensitizers for dye-sensitized solar cells (DSSCs). In comparison with the model compound T1, these dyes containing a thiophene moiety between triphenylamine and bithiazole display enhanced spectral responses in the red portion of the solar spectrum. Electrochemical measurement data indicate that the HOMO and LUMO energy levels can be tuned by introducing different π spacers between the bithiazole moiety and cyanoacrylic acid acceptor. The incorporation of bithiazole substituted with two hexyl groups is highly beneficial to prevent close π-π aggregation, thus favorably suppressing charge recombination and intermolecular interaction. The overall conversion efficiencies of DSSCs based on bithiazole dyes are in the range of 3.58 to 7.51 %, in which BT-I-based DSSCs showed the best photovoltaic performance: a maximum monochromatic incident photon-to-current conversion efficiency (IPCE) of 81.1 %, a short-circuit photocurrent density (J(sc)) of 15.69 mA cm(-2), an open-circuit photovoltage (V(oc)) of 778 mV, and a fill factor (ff) of 0.61, which correspond to an overall conversion efficiency of 7.51 % under standard global AM 1.5 solar light conditions. Most importantly, long-term stability of the BT-I-III-based DSSCs with ionic-liquid electrolytes under 1000 h of light soaking was demonstrated and BT-II with a furan moiety exhibited better photovoltaic performance of up to 5.75 % power conversion efficiency.