Synthesis, photovoltaic performances and TD-DFT modeling of push-pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells.

Sébastien Gauthier (1) , Bertrand Caro (1) , Françoise Robin-Le Guen (1) , Nattamai Bhuvanesh (2) , John A Gladysz (2) , Laurianne Wojcik (3) , Nicolas Le Poul (3) , Aurélien Planchat (4) , Yann Pellegrin (4) , Errol Blart (4) , Denis Jacquemin (4) , Fabrice Odobel (4)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 Department of Chemistry, Texas University
3 CEMCA - Chimie, Electrochimie Moléculaires et Chimie Analytique
4 CEISAM - Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation

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.

Domains: Chemical Sciences

Sébastien Gauthier, Bertrand Caro, Françoise Robin-Le Guen, Nattamai Bhuvanesh, John A Gladysz, et al.. Synthesis, photovoltaic performances and TD-DFT modeling of push-pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells.. Dalton Transactions, 2014, 43 (29), pp.11233-42. ⟨10.1039/c4dt00301b⟩. ⟨hal-01114401⟩