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Coordination Complexes for Dye-Sensitized Solar Cells (DSCs)
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Coordination Complexes for Dye-Sensitized Solar Cells (DSCs)

A topical collection in Inorganics (ISSN 2304-6740). This collection belongs to the section "Coordination Chemistry".

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Editor

Prof. Dr. Catherine Housecroft

E-Mail Website
Collection Editor
Department of Chemistry, University of Basel, Building 1095, Mattenstrasse 22, Postfach, CH-4002 Basel, Switzerland
Interests: light harvesting using inorganic coordination complexes as dyes in dye-sensitized solar cells (DSCs); development of emissive complexes for application in light-emitting electrochemical cells (LECs); water splitting and water oxidation catalysts; functional coordination polymers and networks; chemical education
Special Issues, Collections and Topics in MDPI journals

Topical Collection Information

Dear Colleagues,

The Grätzel dye-sensitized solar cell (DSC) was developed in the 1990s and converts solar into electrical energy. Grätzel's breakthrough use of sintered nanoparticles of the semiconductor on the working electrode of the cell to provide a huge surface area for dye adsorption has been followed by the development of a myriad of sensitizers. The vast majority of investigations are focused on n-type DSCs. However, with an ultimate goal of functional tandem devices, much work is still needed to improve the performances of p-type DSCs. State-of-the-art dyes encompass ruthenium complexes, organic and zinc(II) porphyrin-based dyes with the best conversion efficiencies reaching ~11–14%. Copper(I)-based dyes are seen as sustainable alternatives to ruthenium-containing sensitizers and, with the aid of co-sensitization using an organic dye, have been shown to achieve efficiences of up to ~65% that of the benchmark rutheium(II) sensitizer N719. For p-type DSCs, cyclometallated ruthenium dyes show promise, and an emerging family of iridium-containing dyes has recently entered the field. This Topical Collection aims to highlight the variety and importance of coordination complexes as sensitizers in DSCs.

Prof. Dr. Catherine E. Housecroft
Guest Editor

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Keywords

  • dye-sensitized solar cells
  • metal complexes
  • light-harvesting
  • solar energy conversion

Published Papers (13 papers)

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2023

Jump to: 2022, 2019, 2018

15 pages, 3110 KiB  
Article
Synthesis of a New Dinuclear Cu(I) Complex with a Triazine Ligand and Diphenylphosphine Methane: X-ray Structure, Optical Properties, DFT Calculations, and Application in DSSCs
by Carlos A. Peñuelas, José J. Campos-Gaxiola, Rody Soto-Rojo, Adriana Cruz-Enríquez, Edgar A. Reynoso-Soto, Valentín Miranda-Soto, Juventino J. García, Marcos Flores-Álamo, Jesús Baldenebro-López and Daniel Glossman-Mitnik
Inorganics 2023, 11(10), 379; https://doi.org/10.3390/inorganics11100379 - 25 Sep 2023
Cited by 3 | Viewed by 1585
Abstract
A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane], was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and a single-crystal X-ray diffraction technique. Complex [...] Read more.
A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane], was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and a single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions, which we studied using Hirshfeld surface and fingerprint tools. Additionally, the complex was studied experimentally using UV–Vis spectroscopy and cyclic voltammetry, and theoretical studies with time-dependent density functional theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties were studied, focusing on the band gap. Compound 1 was used as a co-sensitizer in a dye-sensitized solar cell, showing a good photovoltaic performance of 2.03% (Jsc = 5.095 mAcm−2, Voc = 757 mV, and FF = 52.7%) under 100 mW cm−2 (AM 1.5G) solar irradiation, which is similar to that of DSSC, which was only sensitized by N719 (2.2%) under the same condition. Full article
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2022

Jump to: 2023, 2019, 2018

15 pages, 4456 KiB  
Article
Electrodeposited PPy@TiO2 and PEDOT@TiO2 Counter Electrodes for [Co(bpy)3]2+/3+ Redox Mediator-Based Dye-Sensitized Solar Cells
by Abdelaal S. A. Ahmed, Xie Yi, Xiujian Zhao, Wanchun Xiang and Mohammed Abdelmotallieb
Inorganics 2022, 10(11), 213; https://doi.org/10.3390/inorganics10110213 - 18 Nov 2022
Cited by 3 | Viewed by 2342
Abstract
The main goal of this work is to enhance the catalytic performance of PPy and PEDOT films toward the Co2+/Co3+ redox couple. PPy and PEDOT films were electrodeposited separately on a porous TiO2 template to assess their suitability as [...] Read more.
The main goal of this work is to enhance the catalytic performance of PPy and PEDOT films toward the Co2+/Co3+ redox couple. PPy and PEDOT films were electrodeposited separately on a porous TiO2 template to assess their suitability as alternative catalysts in dye-sensitized solar cells (DSSC) based on the [Co(bpy)3]2+/3+ redox shuttle. The obtained PPy@TiO2 and PEDOT@TiO2 counter electrodes displayed much rougher surfaces. Electrochemical studies indicate the superior catalytic activity of both the electrodeposited electrodes toward Co3+ reduction, as indicated by lower charge transfer resistance than that of pristine films and even that of Pt electrodes. Therefore, the fabricated DSSC devices with these counter electrodes achieved higher power conversion efficiencies compared to cells with pristine PPy and PEDOT counter electrodes, or even with a Pt counter electrode. Interestingly, the assembled DSSC device with a PEDOT@TiO2 counter electrode displayed the highest performance among all with a power conversion efficiency of 6.62%, which is better than that obtained by the device with a Pt electrode (6.07%). Full article
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12 pages, 1200 KiB  
Article
Technoeconomic Analysis of Dye Sensitized Solar Cells (DSSCs) with WS2/Carbon Composite as Counter Electrode Material
by Tajamul Hussain Syed and Wei Wei
Inorganics 2022, 10(11), 191; https://doi.org/10.3390/inorganics10110191 - 29 Oct 2022
Cited by 14 | Viewed by 5041
Abstract
Exploration of clean and renewable energy materials is necessary due to the coming energy crisis and environmental problems. Solar energy is one of the favorable energy sources because of the continuous energy reservoir and its affluence. Silicon-based solar devices are expensive due to [...] Read more.
Exploration of clean and renewable energy materials is necessary due to the coming energy crisis and environmental problems. Solar energy is one of the favorable energy sources because of the continuous energy reservoir and its affluence. Silicon-based solar devices are expensive due to their complicated production process, which limits this technology for urban and other commercial applications. Among the third generation of solar cells, Dye-Sensitized Solar Cells (DSSCs) have attracted widespread attention as potential cost-effective alternatives to silicon-based solar cells. In this paper, the commercializing potential of the DSSCs is investigated. A module is introduced where the materials, equipment, and distribution of direct manufacturing costs are calculated. The manufacturing costs and the Levelized Cost of Energy (LCOE) of these DSSCs for a system lifetime of 25 years were determined to be USD 22.40 per m2 and USD 0.0438 per kWh and the module price of this technology is USD 0.18 per W and the total installed system cost is USD 0.88 per W in Kansas which suggest that this PV technology could challenge other leading PV technologies. Full article
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31 pages, 2897 KiB  
Review
A Fascinating Trip into Iron and Copper Dyes for DSSCs
by Luca Mauri, Alessia Colombo, Claudia Dragonetti and Francesco Fagnani
Inorganics 2022, 10(9), 137; https://doi.org/10.3390/inorganics10090137 - 10 Sep 2022
Cited by 13 | Viewed by 2532
Abstract
The production of electricity in a greener and more sustainable way by employing renewable sources is a great challenge in modern times. Photovoltaic systems represent an important possibility because sunlight is the most abundant renewable source. In this review article, recent studies (from [...] Read more.
The production of electricity in a greener and more sustainable way by employing renewable sources is a great challenge in modern times. Photovoltaic systems represent an important possibility because sunlight is the most abundant renewable source. In this review article, recent studies (from 2018 to the present) involving novel iron and copper complexes employed as dyes in Dye-Sensitized Solar Cells (DSSCs) are reported; mono- and bimetallic Fe complexes, Cu-based dyes, and devices presenting both metals are discussed, together with the performances of the DSSCs reported in the papers and the corresponding values of the main parameters employed to characterize such solar cells. The feasibility of DSSCs employing copper and iron dyes, alone or in combination with other earth-abundant metals, is demonstrated. The proper optimization of the sensitizers, together with that of the electrolyte and of the semiconducting layer, will likely lead to the development of highly performing and cheap photovoltaic devices for future applications on a much larger scale. Full article
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2019

Jump to: 2023, 2022, 2018

2 pages, 180 KiB  
Correction
Correction: Michaels, H.; et al. Copper Complexes with Tetradentate Ligands for Enhanced Charge Transport in Dye-Sensitized Solar Cells. Inorganics 2018, 6, 53
by Hannes Michaels, Iacopo Benesperi, Tomas Edvinsson, Ana Belén Muñoz-Garcia, Michele Pavone, Gerrit Boschloo and Marina Freitag
Inorganics 2019, 7(11), 130; https://doi.org/10.3390/inorganics7110130 - 29 Oct 2019
Viewed by 2908
Abstract
The authors express their sincere apologies to all readers of abovementioned article as mistakes were found upon discussion of the article with colleagues [...] Full article
68 pages, 5745 KiB  
Review
Metal Coordination Complexes as Redox Mediators in Regenerative Dye-Sensitized Solar Cells
by Yasemin Saygili, Marko Stojanovic, Natalie Flores-Díaz, Shaik M. Zakeeruddin, Nick Vlachopoulos, Michael Grätzel and Anders Hagfeldt
Inorganics 2019, 7(3), 30; https://doi.org/10.3390/inorganics7030030 - 26 Feb 2019
Cited by 80 | Viewed by 9082
Abstract
Dye-sensitized solar cells (DSSCs) have attracted a substantial interest in the last 30 years for the conversion of solar power to electricity. An important component is the redox mediator effecting the transport of charge between the photoelectrode and the dark counter electrode (CE). [...] Read more.
Dye-sensitized solar cells (DSSCs) have attracted a substantial interest in the last 30 years for the conversion of solar power to electricity. An important component is the redox mediator effecting the transport of charge between the photoelectrode and the dark counter electrode (CE). Among the possible mediators, metal coordination complexes play a prominent role and at present are incorporated in several types of devices with a power conversion efficiency exceeding 10%. The present review, after a brief introduction to the operation of DSSCs, discusses at first the requirements for a successful mediator. Subsequently, the properties of various classes of inorganic coordination complexes functioning as mediators relevant to DSSC operation are presented and the operational characteristics of DSSC devices analyzed. Particular emphasis is paid to the two main classes of efficient redox mediators, the coordination complexes of cobalt and copper; however other less efficient but promising classes of mediators, notably complexes of iron, nickel, manganese and vanadium, are also presented. Full article
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2018

Jump to: 2023, 2022, 2019

26 pages, 12647 KiB  
Review
NHC-Based Iron Sensitizers for DSSCs
by Thibaut Duchanois, Li Liu, Mariachiara Pastore, Antonio Monari, Cristina Cebrián, Yann Trolez, Mohamed Darari, Kevin Magra, Antonio Francés-Monerris, Edoardo Domenichini, Marc Beley, Xavier Assfeld, Stefan Haacke and Philippe C. Gros
Inorganics 2018, 6(2), 63; https://doi.org/10.3390/inorganics6020063 - 19 Jun 2018
Cited by 75 | Viewed by 8716
Abstract
Nanostructured dye-sensitized solar cells (DSSCs) are promising photovoltaic devices because of their low cost and transparency. Ruthenium polypyridine complexes have long been considered as lead sensitizers for DSSCs, allowing them to reach up to 11% conversion efficiency. However, ruthenium suffers from serious drawbacks [...] Read more.
Nanostructured dye-sensitized solar cells (DSSCs) are promising photovoltaic devices because of their low cost and transparency. Ruthenium polypyridine complexes have long been considered as lead sensitizers for DSSCs, allowing them to reach up to 11% conversion efficiency. However, ruthenium suffers from serious drawbacks potentially limiting its widespread applicability, mainly related to its potential toxicity and scarcity. This has motivated continuous research efforts to develop valuable alternatives from cheap earth-abundant metals, and among them, iron is particularly attractive. Making iron complexes applicable in DSSCs is highly challenging due to an ultrafast deactivation of the metal–ligand charge-transfer (MLCT) states into metal-centered (MC) states, leading to inefficient injection into TiO2. In this review, we present our latest developments in the field using Fe(II)-based photosensitizers bearing N-heterocyclic carbene (NHC) ligands, and their use in DSSCs. Special attention is paid to synthesis, photophysical, electrochemical, and computational characterization. Full article
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9 pages, 2605 KiB  
Article
The Effect of Illumination Direction and Temperature on Dye-Sensitized Solar Cells with Viscous Cobalt Complex-Based Electrolytes
by Roger Jiang and Gerrit Boschloo
Inorganics 2018, 6(2), 60; https://doi.org/10.3390/inorganics6020060 - 12 Jun 2018
Cited by 6 | Viewed by 4830
Abstract
The illumination direction and temperature can greatly affect the performance of dye-sensitized solar cells (DSSCs) when practical non-volatile solvents are used with bulky one-electron redox mediators such as cobalt tris(bipyridine). For higher performance, a tandem electrolyte system consisting of cobalt tris(bipyridine) with tris(4-methoxyphenyl)amine [...] Read more.
The illumination direction and temperature can greatly affect the performance of dye-sensitized solar cells (DSSCs) when practical non-volatile solvents are used with bulky one-electron redox mediators such as cobalt tris(bipyridine). For higher performance, a tandem electrolyte system consisting of cobalt tris(bipyridine) with tris(4-methoxyphenyl)amine was used. Discrepancies in J–V hysteresis were investigated by using photocurrent turn-on transients, open-circuit voltage decay, and electrochemical impedance spectroscopy. The devices perform much better upon illumination form the counter electrode side and exhibit much less hysteresis and more stabilized power output as characterized by maximum power-point tracking (MPP) tracking. Full article
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17 pages, 10350 KiB  
Article
The Versatile SALSAC Approach to Heteroleptic Copper(I) Dye Assembly in Dye-Sensitized Solar Cells
by Frederik J. Malzner, Catherine E. Housecroft and Edwin C. Constable
Inorganics 2018, 6(2), 57; https://doi.org/10.3390/inorganics6020057 - 25 May 2018
Cited by 20 | Viewed by 4905
Abstract
Surface-bound heteroleptic copper(I) dyes [Cu(Lanchor)(Lancillary)]+ are assembled using the “surfaces-as-ligands, surfaces as complexes” (SALSAC) approach by three different procedures. The anchoring and ancillary ligands chosen are ((6,6′-dimethyl-[2,2′-bipyridine]-4,4′-diyl)-bis(4,1-phenylene))bis(phosphonic acid) (3) and 4,4′-bis(4-iodophenyl)-6,6′-diphenyl-2,2′-bipyridine (4), respectively. In [...] Read more.
Surface-bound heteroleptic copper(I) dyes [Cu(Lanchor)(Lancillary)]+ are assembled using the “surfaces-as-ligands, surfaces as complexes” (SALSAC) approach by three different procedures. The anchoring and ancillary ligands chosen are ((6,6′-dimethyl-[2,2′-bipyridine]-4,4′-diyl)-bis(4,1-phenylene))bis(phosphonic acid) (3) and 4,4′-bis(4-iodophenyl)-6,6′-diphenyl-2,2′-bipyridine (4), respectively. In the first SALSAC procedure, the FTO/TiO2 electrode is functionalized with 3 in the first dye bath, and then undergoes ligand exchange with the homoleptic complex [Cu(4)2][PF6] to give surface-bound [Cu(3)(4)]+. In the second method, the FTO/TiO2 electrode functionalized with 3 is immersed in a solution containing a 1:1 mixture of [Cu(MeCN)4][PF6] and 4 to give surface-anchored [Cu(3)(4)]+. In the third procedure, the anchor 3, copper(I) ion and ancillary ligand 4 are introduced in a sequential manner. The performances of the DSSCs show a dependence on the dye assembly procedure. The sequential method leads to the best-performing DSSCs with the highest values of JSC (7.85 and 7.73 mA cm−2 for fully masked cells) and overall efficiencies (η = 2.81 and 2.71%, representing 41.1 and 39.6% relative to an N719 reference DSSC). Use of the 1:1 mixture of [Cu(MeCN)4][PF6] and 4 yields DSSCs with higher VOC values but lower JSC values compared to those assembled using the sequential approach; values of η are 2.27 and 2.29% versus 6.84% for the N719 reference DSSC. The ligand exchange procedure leads to DSSCs that perform relatively poorly. The investigation demonstrates the versatile and powerful nature of SALSAC in preparing dyes for copper-based DSSCs, allowing the photoconversion efficiency of dye to be optimized for a given dye. The SALSAC strategy provides alternative hierarchical strategies where the isolation of the homoleptic [Cu(Lancillary)2]+ is difficult or time-consuming; stepwise strategies are more atom-economic than ligand exchange involving the homoleptic [Cu(Lancillary)2]+. Full article
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17 pages, 2017 KiB  
Article
Copper Complexes with Tetradentate Ligands for Enhanced Charge Transport in Dye-Sensitized Solar Cells
by Hannes Michaels, Iacopo Benesperi, Tomas Edvinsson, Ana Belén Muñoz-Garcia, Michele Pavone, Gerrit Boschloo and Marina Freitag
Inorganics 2018, 6(2), 53; https://doi.org/10.3390/inorganics6020053 - 21 May 2018
Cited by 37 | Viewed by 10009 | Correction
Abstract
In dye-sensitized solar cells (DSCs), the redox mediator is responsible for the regeneration of the oxidized dye and for the hole transport towards the cathode. Here, we introduce new copper complexes with tetradentate 6,6′-bis(4-(S)-isopropyl-2-oxazolinyl)-2,2′-bipyridine ligands, Cu(oxabpy), as redox mediators. Copper coordination [...] Read more.
In dye-sensitized solar cells (DSCs), the redox mediator is responsible for the regeneration of the oxidized dye and for the hole transport towards the cathode. Here, we introduce new copper complexes with tetradentate 6,6′-bis(4-(S)-isopropyl-2-oxazolinyl)-2,2′-bipyridine ligands, Cu(oxabpy), as redox mediators. Copper coordination complexes with a square-planar geometry show low reorganization energies and thus introduce smaller losses in photovoltage. Slow recombination kinetics of excited electrons between the TiO2 and CuII(oxabpy) species lead to an exceptionally long electron lifetime, a high Fermi level in the TiO2, and a high photovoltage of 920 mV with photocurrents of 10 mA∙cm−2 and 6.2% power conversion efficiency. Meanwhile, a large driving force remains for the dye regeneration of the Y123 dye with high efficiencies. The square-planar Cu(oxabpy) complexes yield viscous gel-like solutions. The unique charge transport characteristics are attributed to a superposition of diffusion and electronic conduction. An enhancement in charge transport performance of 70% despite the higher viscosity is observed upon comparison of Cu(oxabpy) to the previously reported Cu(tmby)2 redox electrolyte. Full article
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34 pages, 10625 KiB  
Review
Ruthenium Complexes as Sensitizers in Dye-Sensitized Solar Cells
by Sadig Aghazada and Mohammad Khaja Nazeeruddin
Inorganics 2018, 6(2), 52; https://doi.org/10.3390/inorganics6020052 - 21 May 2018
Cited by 105 | Viewed by 11287
Abstract
In this review, we discuss the main directions in which ruthenium complexes for dye-sensitized solar cells (DSCs) were developed. We critically discuss the implemented design principles. This review might be helpful at this moment when a breakthrough is needed for DSC technology to [...] Read more.
In this review, we discuss the main directions in which ruthenium complexes for dye-sensitized solar cells (DSCs) were developed. We critically discuss the implemented design principles. This review might be helpful at this moment when a breakthrough is needed for DSC technology to prove its market value. Full article
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16 pages, 10785 KiB  
Article
Effects of Introducing Methoxy Groups into the Ancillary Ligands in Bis(diimine) Copper(I) Dyes for Dye-Sensitized Solar Cells
by Annika Büttner, Sven Y. Brauchli, Edwin C. Constable and Catherine E. Housecroft
Inorganics 2018, 6(2), 40; https://doi.org/10.3390/inorganics6020040 - 10 Apr 2018
Cited by 14 | Viewed by 5484
Abstract
A systematic investigation of four heteroleptic bis(diimine) copper(I) dyes in n-type Dye-Sensitized Solar Cells (DSSCs) is presented. The dyes are assembled using a stepwise, on-surface assembly. The dyes contain a phosphonic acid-functionalized 2,2′-bipyridine (bpy) anchoring domain (5) and ancillary bpy ligands [...] Read more.
A systematic investigation of four heteroleptic bis(diimine) copper(I) dyes in n-type Dye-Sensitized Solar Cells (DSSCs) is presented. The dyes are assembled using a stepwise, on-surface assembly. The dyes contain a phosphonic acid-functionalized 2,2′-bipyridine (bpy) anchoring domain (5) and ancillary bpy ligands that bear peripheral phenyl (1), 4-methoxyphenyl (2), 3,5-dimethoxyphenyl (3), or 3,4,5-trimethoxyphenyl (4) substituents. In masked DSSCs, the best overall photoconversion efficiency was obtained with the dye [Cu(5)(4)]+ (1.96% versus 5.79% for N719). Values of JSC for both [Cu(5)(2)]+ (in which the 4-MeO group is electron releasing) and [Cu(5)(4)]+ (which combines electron-releasing and electron-withdrawing effects of the 4- and 3,5-substituents) and are enhanced with respect to [Cu(5)(1)]+. DSSCs with [Cu(5)(3)]+ show the lowest JSC. Solid-state absorption spectra and external quantum efficiency spectra reveal that [Cu(5)(4)]+ benefits from an extended spectral range at higher energies. Values of VOC are in the order [Cu(5)(4)]+ > [Cu(5)(1)]+ > [Cu(5)(2)]+ > [Cu(5)(3)]+. Density functional theory calculations suggest that methoxyphenyl character in MOs within the HOMO manifold in [Cu(5)(2)]+ and [Cu(5)(4)]+ may contribute to the enhanced performances of these dyes with respect to [Cu(5)(1)]+. Full article
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13 pages, 8675 KiB  
Article
Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes
by Takashiro Akitsu, Atsuo Yamazaki, Kana Kobayashi, Tomoyuki Haraguchi and Kazunaka Endo
Inorganics 2018, 6(2), 37; https://doi.org/10.3390/inorganics6020037 - 28 Mar 2018
Cited by 11 | Viewed by 5573
Abstract
Molecular orientation of dyes must be one of the important factors for designing dye-sensitized solar cells (DSSC). As model systems, we have prepared new hybrid materials composed of azobenzene (AZ) and chiral Schiff base Cu(II) complexes (pn(S)Cu and [...] Read more.
Molecular orientation of dyes must be one of the important factors for designing dye-sensitized solar cells (DSSC). As model systems, we have prepared new hybrid materials composed of azobenzene (AZ) and chiral Schiff base Cu(II) complexes (pn(S)Cu and pn(R)Cu) in polymethyl methacrylate (PMMA) cast films. In addition to experimental results, in order to understand their behavior due to anisotropic alignment of them by linearly polarized UV light irradiation, the so-called Weigert effect, we treated theoretically and discussed based on computational chemistry and mathematical treatments (MD simulation and Bayesian statistics). Full article
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