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

• Published in: Chemistry : a European journal Vol. 20; no. 34; p. 10685
• Main Authors: Fuse, Shinichiro, Sugiyama, Sakae, Maitani, Masato M, Wada, Yuji, Ogomi, Yuhei, Hayase, Shuzi, Katoh, Ryuzi, Kaiho, Tatsuo, Takahashi, Takashi
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 18.08.2014
• Subjects: Chemistry; Dyes; Solar energy
• ISSN: 0947-6539; 1521-3765
• DOI: 10.1002/chem.201402093

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 [epsi], and the η were observed, whereas the HOMO and LUMO levels of the dyes were critical for η. The dyes with a more positive EHOMO, and with an ELUMO<-0.80V, exerted higher PCEs. The proper driving forces were crucial for a high Jsc, and it was the most important parameter for a high η. The above criteria of EHOMO and ELUMO should be useful for creating high PCE dyes; nevertheless, that was not sufficient for identifying the best combination of donor, π, and acceptor blocks. Combinatorial synthesis and evaluation was important for identifying the best dye. [PUBLICATION ABSTRACT]