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

Alessandro Sinopoli; Christopher J. Wood; Elizabeth A. Gibson; Paul I.P. Elliott

doi:10.1016/j.ica.2016.12.003

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

Alessandro Sinopoli
, Christopher J. Wood
, Elizabeth A. Gibson^*
, Paul I.P. Elliott

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

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 TiO₂conduction band upon photoexcitation. Preliminary unoptimized tests on TiO₂DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)₂(dcb)][PF₆] (ppy = 2-phenylpyridine) benchmark.

Original language	English
Pages (from-to)	81-89
Number of pages	9
Journal	Inorganica Chimica Acta
Volume	457
DOIs	https://doi.org/10.1016/j.ica.2016.12.003
Publication status	Published - 2017
Externally published	Yes

Keywords

Cyclometalated iridium(III) complexes
DSSC
Sensitizers
Triazole

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10.1016/j.ica.2016.12.003

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@article{7a0a14abc5184c52a6911f9267650d9b,

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

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\textasciicircum{}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 TiO2conduction band upon photoexcitation. Preliminary unoptimized tests on TiO2DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)2(dcb)][PF6] (ppy = 2-phenylpyridine) benchmark.",

keywords = "Cyclometalated iridium(III) complexes, DSSC, Sensitizers, Triazole",

author = "Alessandro Sinopoli and Wood, \{Christopher J.\} and Gibson, \{Elizabeth A.\} and Elliott, \{Paul I.P.\}",

note = "Publisher Copyright: {\textcopyright} 2016",

year = "2017",

doi = "10.1016/j.ica.2016.12.003",

language = "English",

volume = "457",

pages = "81--89",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - New cyclometalated iridium(III) dye chromophore complexes for n-type dye-sensitised solar cells

AU - Sinopoli, Alessandro

AU - Wood, Christopher J.

AU - Gibson, Elizabeth A.

AU - Elliott, Paul I.P.

PY - 2017

Y1 - 2017

N2 - 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 TiO2conduction band upon photoexcitation. Preliminary unoptimized tests on TiO2DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)2(dcb)][PF6] (ppy = 2-phenylpyridine) benchmark.

AB - 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 TiO2conduction band upon photoexcitation. Preliminary unoptimized tests on TiO2DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)2(dcb)][PF6] (ppy = 2-phenylpyridine) benchmark.

KW - Cyclometalated iridium(III) complexes

KW - DSSC

KW - Sensitizers

KW - Triazole

UR - https://www.scopus.com/pages/publications/85006761388

U2 - 10.1016/j.ica.2016.12.003

DO - 10.1016/j.ica.2016.12.003

M3 - Article

AN - SCOPUS:85006761388

SN - 0020-1693

VL - 457

SP - 81

EP - 89

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

ER -

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

Abstract

Keywords

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