Synthesis, characterization, optical properties, computational characterizations, QTAIM analysis and cyclic voltammetry of new organic dyes for dye-sensitized solar cells

Agheli, Zahra; Pordel, Mehdi; Beyramabadi, S. Ali

doi:10.1016/j.molstruc.2019.127228

Cited by 12 publications

(2 citation statements)

References 35 publications

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“…To further assess the effect of heteroatom substitution on the V OC , typically determined by the difference between the highest occupied molecular orbital (HOMO) of the donor and the LUMO of the acceptor, we performed electrochemical cyclic voltammetry (CV) [ 35 ] to measure the frontier molecular orbital energy E HOMO and E LUMO of the two small molecules as shown in Figure 1c. The measurement results show that the BTA502 with a larger size Si atom substitution has a deeper HOMO of −5.59 eV and a higher LUMO of −3.56 eV than the BTA501 with a HOMO/LUMO of −5.56/−3.63 eV, as a result of widening its electrochemical bandgap (

E_{normalg}^{CV}

) with 2.03 eV (1.93 eV for BTA501).…”

Section: Resultsmentioning

confidence: 99%

The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

Dai

Wang

et al. 2022

Solar RRL

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In recent years, the organic solar cells (OSCs) research hotspot is the modification of end groups and alkyl side chains of A‐DA’D‐A‐type nonfullerene acceptors (NFAs). However, the development of novel NFAs by changing the different bridged atom substitution of the central core is lagging behind. Herein, two wide‐bandgap A2‐A1‐D‐A1‐A2‐type NFAs with different central cores, namely BTA501 and BTA502, are developed to improve the photovoltaic performance of high‐voltage OSCs. BTA501 adopted an indacenodithiophene (IDT) core, whereas BTA502 applied a silaindacenodithiophene (SiIDT) core. Expectedly, the SiIDT‐based BTA502 exhibits a higher lowest unoccupied molecular orbital level and wider bandgap than BTA501, which thus enhances the open‐circuit voltage (V OC) but slightly decreases the short‐circuit current density (J SC) of OSCs. Moreover, the stronger self‐aggregation characteristics and weaker π–π stacking of BTA502 severely affect the exciton dissociation and charge transport. When blended with two classic p‐type polymers J52‐F and PTB7‐Th, both combinations based on BTA502 exhibit inferior device performance compared with BTA501. Excitingly, the device of J52‐F: BTA501 achieves a V OC of 1.037 V with a power conversion efficiency of 11.82% and a J SC of 15.89 mA cm−2, which are among the highest values for high‐voltage OSCs with V OC above 1.0 V.

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E_{normalg}^{CV}

) with 2.03 eV (1.93 eV for BTA501).…”

Section: Resultsmentioning

confidence: 99%

The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

Dai

Wang

et al. 2022

Solar RRL

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“…In our earlier research works, some new fluorescent heterocyclic compounds have been synthesized with pentacyclic aromatic skeleton featuring indole, 4‐pyridinecarbonitrile, and benzimidazole or indazole systems as the key ingredients 33,34 . In the present study, which is conducted as continuation of our investigations on synthesizing new heterocyclic dyes as organic photosensitizers in DSSCs, 35,36 we have aimed at a synthesis of 3 H ‐benzofuro[2,3‐ b ]pyrazolo[4,3‐ f ]quinolines as novel fluorophores as high‐performance organic photosensitizers. The photovoltaic performances of the title compounds are remarkable and comparable to recently heterocyclic dyes as organic photosensitizers 37‐39 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis, electrochemical, photophysical, and photovoltaic properties of new fluorescent compounds: 3 H ‐benzofuro[2,3‐ b ]pyrazolo[4,3‐ f ]quinoline

et al. 2021

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Summary The concern with fluorescent heterocyclic compounds has been growing because they can be utilized in dye‐sensitized solar cells (DSSCs) as organic photosensitizers. As a result of the experiment we conducted, the following outcomes emerged: new fluorescent heterocyclic systems 3H‐benzofuro[2,3‐b]pyrazolo[4,3‐f]quinolines ensued from reaction of 1‐alkyl‐5‐nitro‐1H‐indazole with 2‐(benzofuran‐3‐yl)acetonitrile in KOH/MeOH. New heterocyclic compounds were characterized through a use of elemental analysis and spectroscopic data. The results of the optical properties of the fluorescent compounds demonstrated that their fluorescence quantum yields are comparable to the quantum yields of such well‐known fluorescent dyes as fluorescein. Furthermore, the cyclic voltammetry revealed the electrochemical attributes of the fluorescent heterocyclic systems and that reversible oxidation waves are observable in their case. In order for their photovoltaic performance parameters to be determined, the I‐V curves and the IPCE spectra of the new compounds were launched into an investigation. What followed exposed that the photovoltaic performances of the foregoing compounds were 5.01% to 5.17%.

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Bicyclic 5-6 Systems With One Bridgehead (Ring Junction) Nitrogen Atom: One Extra Heteroatom 1:0

Punna¹,

Jadav²,

Ramaraju³

et al. 2022

Comprehensive Heterocyclic Chemistry IV

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Synthesis, characterization, optical properties, computational characterizations, QTAIM analysis and cyclic voltammetry of new organic dyes for dye-sensitized solar cells

Cited by 12 publications

References 35 publications

The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

Synthesis, electrochemical, photophysical, and photovoltaic properties of new fluorescent compounds: 3 H ‐benzofuro[2,3‐ b ]pyrazolo[4,3‐ f ]quinoline

Bicyclic 5-6 Systems With One Bridgehead (Ring Junction) Nitrogen Atom: One Extra Heteroatom 1:0

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Synthesis, characterization, optical properties, computational characterizations, QTAIM analysis and cyclic voltammetry of new organic dyes for dye-sensitized solar cells

Cited by 12 publications

References 35 publications

The Effect of Silicon Substitution in Indacenodithiophene‐Based A2‐A1‐D‐A1‐A2‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

The Effect of Silicon Substitution in Indacenodithiophene‐Based A2‐A1‐D‐A1‐A2‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

Synthesis, electrochemical, photophysical, and photovoltaic properties of new fluorescent compounds: 3 H ‐benzofuro[2,3‐ b ]pyrazolo[4,3‐ f ]quinoline

Bicyclic 5-6 Systems With One Bridgehead (Ring Junction) Nitrogen Atom: One Extra Heteroatom 1:0

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The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells

The Effect of Silicon Substitution in Indacenodithiophene‐Based A₂‐A₁‐D‐A₁‐A₂‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells