Elucidating the Structure–Property Relationships of Donor–π‐Acceptor Dyes for Dye‐Sensitized Solar Cells (DSSCs) through Rapid Library Synthesis by a One‐Pot Procedure. Issue 34 (20th June 2014)

• Record Type: Journal Article
• Authors: Fuse, Shinichiro; Sugiyama, Sakae; Maitani, Masato M.; Wada, Yuji; Ogomi, Yuhei; Hayase, Shuzi; Katoh, Ryuzi; Kaiho, Tatsuo; Takahashi, Takashi
• Is Part Of: Chemistry. Volume 20:Issue 34(2014)
• Page Start: 10685
• Page End: 10694
• Publication Date: 2014-06-20
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201402093
• Languages: English
• ISSNs: 0947-6539

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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 <italic>ε</italic>, and the <italic>η</italic> were observed, whereas the HOMO and LUMO levels of the dyes were critical for <italic>η</italic>. The dyes with a more positive <italic>E</italic>_HOMO, and with an <italic>E</italic>_LUMO&lt;−0.80 V, exerted higher PCEs. The proper driving forces were crucial for a high <italic>J</italic>_sc, and it was the most important parameter for a high <italic>η</italic>. The above criteria of <italic>E</italic>_HOMO and <italic>E</italic>_LUMO 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.</p> </abstract>