title: 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.
abstract: 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 η. The above criteria of E(HOMO) and E(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.
authors: Department of Applied Chemistry, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo 152-8552 (Japan), Fax: (+81) 3-5734-2884. sfuse@apc.titech.ac.jp.
authors: Shinichiro
authors: S
authors: Fuse
authors: Sakae
authors: S
authors: Sugiyama
authors: Masato M
authors: MM
authors: Maitani
authors: Yuji
authors: Y
authors: Wada
authors: Yuhei
authors: Y
authors: Ogomi
authors: Shuzi
authors: S
authors: Hayase
authors: Ryuzi
authors: R
authors: Katoh
authors: Tatsuo
authors: T
authors: Kaiho
authors: Takashi
authors: T
authors: Takahashi
mesh_terms: D004396:Coloring Agents / Q000138:chemical synthesis / Q000737:chemistry*; D011789:Quantum Theory; D054852:Small Molecule Libraries / Q000138:chemical synthesis / Q000737:chemistry; D012993:Solar Energy; D013329:Structure-Activity Relationship
chemical_list: D004396:Coloring Agents; D054852:Small Molecule Libraries
keywords: combinatorial chemistry; cross-coupling; dye-sensitized solar cells; dyes/pigments; one-pot reactions