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New cyclometalated iridium(III) dye chromophore complexes for n-type dye-sensitised solar cells

Elliott, Paul I. (2017) New cyclometalated iridium(III) dye chromophore complexes for n-type dye-sensitised solar cells. Inorganica Chimica Acta, 457. pp. 81-89. ISSN 0020-1693

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Abstract

The synthesis of seven iridium complexes where aryl-1,2,3-triazole (Ar-tz) moieties act as cyclometalating ligands with 2,2’-bipyridyl-4,4’-dicarboxylic acid (dcb) as a N^N ancillary/anchoring ligand, is described. The new dye complexes [Ir(Ar-tz)2(dcb)][PF6] (AS1-7) were prepared in a two stage procedure with iridium-chloride dimer isolation. DFT analysis together with photophysical investigations reveal how using different substituents on the phenyl ring, or a different aryl system, lead to the tuning of the absorption and emission properties of these complexes. Computational studies therefore demonstrate an ideal HOMO-LUMO directionality for the [Ir(Ar-tz)2(dcb)]+ framework, promoting a favourable electron transfer into the TiO2 conduction band upon photoexcitation. Preliminary unoptimized tests on TiO2 DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)2(dcb)][PF6] (ppy = 2-phenylpyridine) benchmark.

Item Type: Article
Contributors:
ContributionNameEmailORCID
AuthorSinopoli, AlessandroUNSPECIFIEDUNSPECIFIED
AuthorWood, Christopher J.UNSPECIFIEDUNSPECIFIED
AuthorGibson, Elizabeth A.UNSPECIFIEDUNSPECIFIED
AuthorElliott, Paul I.p.i.elliott@hud.ac.uk0000-0003-1570-3289
Subjects: Q Science > QD Chemistry
Schools: School of Applied Sciences
Related URLs:
Depositing User: Paul Elliott
Date Deposited: 09 Jan 2017 14:03
Last Modified: 09 Jan 2017 14:10
URI: http://eprints.hud.ac.uk/id/eprint/30721

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