Elucidating the Structure-Property Relationships of Donor-p-Acceptor Dyes for Dye-Sensitized Solar Cells (DSSCs) through Rapid Library Synthesis by a One-Pot Procedure

摘要

The creation of organic dyes with excellent high power conversion efficiency (PCE) is important for the further improvement of dye-sensitized solar cells. We wish to describe the rapid synthesis of a 112-membered donor-π-acceptor dye library by a one-pot procedure, evaluation of PCEs, and elucidation of structure-property relationships. No obvious correlations between ε, and the η were observed, whereas the HOMO and LUMO levels of the dyes were critical for η. The dyes with a more positive E_(HOMO), and with an E_(LUMO)<-0.80 V, exerted higher PCEs. The proper driving forces were crucial for a high J_(sc), and it was the most important parameter for a high h. The above criteria of E_(HOMO) and ELUMO should be useful for creating high PCE dyes; nevertheless, that was not sufficient for identifying the best combination of donor, p, and acceptor blocks. Combinatorial synthesis and evaluation was important for identifying the best dye.