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

Lookup NU author(s): Chris Wood, Professor Elizabeth GibsonORCiD



This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND).


The synthesis of seven iridium complexes [Ir(C^N)2(N^N)][PF6] (AS9-15) designed as dyes for p-type DSSC is described. These complexes comprise a 4-(pyrid-2-yl)benzoic acid as the cyclometalating/anchoring ligand with different diimine ligands acting as electron accepting ancillary ligands. DFT analysis together with photophysical investigations reveal how using different π-systems on the ancillary ligand it is possible to tune the absorption spectra of these complexes and to enhance the spatial separation between the HOMO and LUMO. Computational studies demonstrate an ideal HOMO to LUMO charge transfer directionality for the presented [Ir(C^N)2(N^N)]+ frameworks, promoting a favourable hole transfer into the NiO cathode valence band upon photoexcitation in p-type DSSC devices. Preliminary tests on NiO-based p-type DSSCs have been carried out confirming the potential use of complexes AS9-15 as a basis for continued development as DSSC chromophores.

Publication metadata

Author(s): Sinopoli AS, Wood CJ, Gibson EA, Elliott PIP

Publication type: Article

Publication status: Published

Journal: Dyes and Pigments

Year: 2017

Volume: 140

Pages: 269-277

Print publication date: 01/05/2017

Online publication date: 17/01/2017

Acceptance date: 07/01/2017

Date deposited: 04/01/2017

ISSN (print): 0143-7208

ISSN (electronic): 1873-3743

Publisher: Elsevier


DOI: 10.1016/j.dyepig.2017.01.011


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