Molecular design and synthesis of ruthenium(ii) sensitizers for highly efficient dye-sensitized solar cells

Anthonysamy, Arockiam; Lee, Young-Min; Karunagaran, B.; Veerappan, Ganapathy; Rhee, Shi‐Woo; Karthikeyan, S.; Kim, K. S.; Ko, Min Jae; Park, N.-G.; Ju, Myung Jong; Kim, J. K.

doi:10.1039/c1jm11760b

Cited by 44 publications

(26 citation statements)

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“…Dye-sensitized solar cells (DSSCs), as a promising photovoltaic device, with advantages of relatively high efficiency and low-cost fabrication, have gained widespread attention since Ru(II) polypyridyl complexes were first reported and their excellent power conversion efficiency (PCE) was demonstrated in 1991 by Grätzel and co-workers [ 1 ]. Since then, lots of significant progress has been made in Ru(II) polypyridyl complex-based DSSCs, with PCE up to 11.5% [ 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 ]; however, the rarity and high cost of ruthenium limited the large-scale utilization of Ru(II)-based dyes in DSSC application. Therefore, it is necessary to develop novel dyes with plentiful and cheap components as other replacements.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Analysis on Heteroleptic Cu(I)-Based Complexes for Dye-Sensitized Solar Cells: Effect of Anchors on Electronic Structure, Spectrum, Excitation, and Intramolecular and Interfacial Electron Transfer

et al. 2020

Molecules

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Two groups of heteroleptic Cu(I)-based dyes were designed and theoretically investigated by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. Different anchors were integrated into the dye skeleton to shed light on how the type of anchor influenced the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of dyes. The results indicated that, compared with other dyes, the dyes with cyanoacrylic acid and nitric acid exhibited more appropriate electron distributions in frontier molecular orbitals (FMOs), lower HOMO (the highest occupied molecular orbital) –LUMO (the lowest unoccupied molecular orbital) energy gaps, broader absorption spectral ranges as well as improved spectral characteristics in the near-infrared region and better intramolecular electron transfer (IET) characteristics with more electrons transferred to longer distances, but smaller orbital overlap. Among all the studied Cu(I)-based dyes, B1 and P1 (with cyanoacrylic acid anchoring group) exhibited the best interface electronic structure parameters with a relatively short electron injection time (τinj) and large dipole moment (μnormal), which would have a positive effect on the open-circuit photovoltage (Voc) and short-circuit current density (Jsc), resulting in high power conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs). Our findings are expected to provide a new insight into the designing and screening of high-performance dyes for DSSCs.

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Section: Introductionmentioning

confidence: 99%

Theoretical Analysis on Heteroleptic Cu(I)-Based Complexes for Dye-Sensitized Solar Cells: Effect of Anchors on Electronic Structure, Spectrum, Excitation, and Intramolecular and Interfacial Electron Transfer

et al. 2020

Molecules

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“…Numerous attempts have been made to molecularly engineer ruthenium sensitizers to broaden the absorption band and increase the molar extinction coefficient. One successful approach taken by various authors has been the functionalization of one arm of the 4,4'-dicarboxylic 2,2'-bipyridyl anchoring ligands in the N3 ruthenium sensitizer with different arrays of highly conjugated ancillary ligands, for example, 2-hexylthiophene ( HRS-1 ) [3,50], dialkylaminobenzene [51], alkyl bithiophene [52], alkoxybenzene, 2-(4- tert -butyloxyphenyl)ethylene [53,54], dipyridylamine [55], 3,4-ethylenedioxy- thien-2-yl)vinylene [56], 3,5-di- tert -butylbenzene [57], and 4,4-bis(4- tert -butylstyryl) [58], to form new ruthenium(II) polypyridyl dyes in order to enhance both the molar extinction coefficient and red-shift of the metal-to-ligand charge transfer (MLCT) wavelength of the complexes for the DSSCs application. The high molar extinction coefficients and red shift results obtained from such molecular designs were adduced to the extension of the π-conjugation in the complexes due to the introduction of these various groups.…”

Section: Syntheses and Trends In Dye Sensitizer Developmentmentioning

confidence: 99%

“…Anthonysamy et al . reported the synthesis of two heteroleptic ruthenium(II) dyes (compounds SY-04 and SY-05 ) containing the ancillary ligands of 3,4-dihexylthiophene and 3-hexylthiophene units which were obtained based on the Horner-Emmons-Wadsworth (HEW) reaction method (Scheme 1) [3,60]. The two ruthenium(II) complexes have molar extinction coefficient (ε) of the MLCT band at a peak at 546 nm as 21.7 × 10 3 M −1 cm −1 , which is higher than that (14.0 × 10 3 M −1 cm −1 ) of N3 .…”

Section: Syntheses and Trends In Dye Sensitizer Developmentmentioning

confidence: 99%

“…In recent years, many attempts have been made to develop new sensitizers for practical usage. Sensitizers based on ruthenium complexes [3,4,5,6,7,8,9,10,11,12,13], metal free organic dyes [14,15,16,17] and porphyrins [18,19,20,21,22] were developed and used as efficient sensitizers for DSSCs. Among them, ruthenium and porphyrin based dyes have reached power conversion efficiencies of more than 10%.…”

Section: Introductionmentioning

confidence: 99%

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Towards the Development of Functionalized PolypyridineLigands for Ru(II) Complexes as Photosensitizers inDye-Sensitized Solar Cells (DSSCs)

Adeloye

Ajibade

2014

Molecules

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A number of novel ruthenium(II) polypyridine complexes have been designed and synthesized for use as photosensitizers in dye-sensitized solar cells (DSSCs) due to their rich photophysical properties such as intense absorption, long-lived lifetimes, high emission quantum yields and unique redox characteristics. Many of these complexes exhibit photophysical behavior that can be readily controlled through a careful choice of ligands and/or substituents. With this perspective, we review the design and general synthetic methods of some polypyridine ligands based on bipyridine, phenanthroline, terpyridine and quaterpyridine with/without anchoring groups with a view to correlate functionality of ligand structures with the observed photophysical, electroredox and power conversion efficiency of some examples of Ru(II) polypyridyl complexes that have been reported and particularly used in the DSSCs applications. The main interest, however, is focused on showing the development of new polypyridine ligand materials containing long-range electron transfer motifs such as the alkenyl, alkynyl and polyaromatic donor functionalities.

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“…However, obviously, the nature of the metal will have a significant effect on the efficiency of the additive as a stabilizer. Clearly, both the metal and the ancillary ligands could play a role in absorbing the UV light [34][35][36].…”

Section: Suggested Mechanisms Of Photostabilization Of Pmma By the Bimentioning

confidence: 99%

Photochemical Stability and Photostabilizing Efficiency of Poly(methyl methacrylate) Based on 2-(6-Methoxynaphthalen-2-yl)propanoate Metal Ion Complexes

et al. 2015

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Abstract:The photostabilization of poly(methyl methacrylate) (PMMA) films having 2-(6-methoxynaphthalen-2-yl)propanoate and Sn(II), Ni(II), Zn(II) and Cu(II) complexes was investigated. The production of PMMA films containing such complexes (0.5% by weight) was carried out by the casting method using chloroform. The photostabilization activities of the compounds were determined by monitoring the hydroxyl index with irradiation time. The quantum yield of the chain scission (Φcs) for the complexes in PMMA films and the changes in the viscosity average molecular weight of PMMA with irradiation time were evaluated. The rate of photostabilization for PMMA in the presence of the additives was found to follow the order NiL2 > CuL2 > ZnL2 > SnL2 (L, ligand). Depending on the structure of the additive, such as a peroxide decomposer, UV absorption or a radical scavenger for the photostabilizer, several mechanisms are suggested.

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Molecular design and synthesis of ruthenium(ii) sensitizers for highly efficient dye-sensitized solar cells

Cited by 44 publications

References 56 publications

Theoretical Analysis on Heteroleptic Cu(I)-Based Complexes for Dye-Sensitized Solar Cells: Effect of Anchors on Electronic Structure, Spectrum, Excitation, and Intramolecular and Interfacial Electron Transfer

Theoretical Analysis on Heteroleptic Cu(I)-Based Complexes for Dye-Sensitized Solar Cells: Effect of Anchors on Electronic Structure, Spectrum, Excitation, and Intramolecular and Interfacial Electron Transfer

Towards the Development of Functionalized PolypyridineLigands for Ru(II) Complexes as Photosensitizers inDye-Sensitized Solar Cells (DSSCs)

Photochemical Stability and Photostabilizing Efficiency of Poly(methyl methacrylate) Based on 2-(6-Methoxynaphthalen-2-yl)propanoate Metal Ion Complexes

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