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Synthesis, photovoltaic performances and TD-DFT modeling of push–pull diacetylide platinum complexes in TiO 2 based dye-sensitized solar cells

https://doi.org/10.1039/c4dt00301b

Gauthier, Sébastien ; Caro, Bertrand ; Robin-Le Guen, Françoise ; Bhuvanesh, Nattamai ; Gladysz, John A. ; Wojcik, Laurianne ; Le Poul, Nicolas ; Planchat, Aurélien ; Pellegrin, Yann ; Blart, Errol ; et al ( January 2014 , Dalton Trans.)

In this joint experimental–theoretical work, we present the synthesis and optical and electrochemical characterization of five new bis-acetylide platinum complex dyes end capped with diphenylpyranylidene moieties, as well as their performances in dye-sensitized solar cells (DSCs). Theoretical calculations relying on Time-Dependent Density Functional Theory (TD-DFT) and a range-separated hybrid show a very good match with experimental data and allow us to quantify the charge-transfer character of each compound. The photoconversion efficiency obtained reaches 4.7% for 8e (see TOC Graphic) with the tri-thiophene segment, which is among the highest efficiencies reported for platinum complexes in DSCs.
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