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

Abstract : 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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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01114401
Contributor : Laurent Jonchère <>
Submitted on : Monday, February 9, 2015 - 1:38:57 PM
Last modification on : Friday, July 10, 2020 - 4:10:36 PM

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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, Royal Society of Chemistry, 2014, 43 (29), pp.11233-42. ⟨10.1039/c4dt00301b⟩. ⟨hal-01114401⟩

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