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

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.

Inorg Chim Acta 301116.docx - Accepted Version
Restricted to Repository staff only

Download (660kB)
Inorg Chim Acta 301116.pdf - Accepted Version

Download (607kB) | Preview


Downloads per month over past year

Add to AnyAdd to TwitterAdd to FacebookAdd to LinkedinAdd to PinterestAdd to Email