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Grafting Corroles onto ZnO nanoparticles
摘要： Two different copper and gallium arylcorroles have been functionalized using the Vilsmeier–Haack reaction. A further Knoevenagel reaction with cyanoacetic acid was performed on both complexes, affording the desired products with yields above 90%. The newly synthesized compounds have been thoroughly characterized by a combination of spectroscopic methods, optical analyses, and X-ray crystallography. Moreover, they have been tested as anchoring groups for the hydrothermal synthesis of ZnO nanoparticles. The morphology of the heterogeneous composites has been studied by SEM, EDS and fluorescence microscopy analyses, thus confirming the presence of the corrole macrocycle in the hybrid material.
关键词： Corroles,ZnO nanoparticles,Anchoring group,Fluorescence,Knoevenagel reaction
更新于2025-09-23 15:22:29
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Influence of the meso-substituents of zinc porphyrins in dye-sensitized solar cell efficiency with improved performance under short periods of white light illumination
摘要： The sensitization activity of four zinc metalloporphyrin dyes: meso-tetrakis(4-pyridyl)porphyrinato Zn(II) (a), meso-triphenyl-(4-carboxyphenyl)porphyrinato Zn(II) (b), meso-tetrakis(4-carboxyphenyl)porphyrinato Zn(II) (c) and meso-tripyridyl(4-carboxyphenyl)porphyrinato Zn(II) (d) is reported here, in terms of current-potential curve, open-circuit potential, fill factor, and overall solar energy conversion efficiency which have been evaluated under 100 mW/cm2 light intensity and their performances compared to the benchmark N719 (di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2′-bipyridyl-4,4′-dicarboxylato) ruthenium(II). This work focus the structural aspects of dyes with anchoring groups using TiO2-based Dye Sensitized Solar Cells (DSSCs), which includes pyridyl and carboxyphenyl acid groups and argue how the combination of both anchoring groups, in the same structure, may allow relevant optimization of DSSCs performance in the near future. Also, a noticeable improvement in the photovoltaic performance of all dyes, reaching a maximum increase from 25% to 69% in the overall DSSC efficiency under short periods of white light illumination is discussed.
关键词： Dye sensitized solar cells (DSSCs),Macrocycles,Carboxylic acid anchoring group,Dyes,Photoconversion efficiency,TiO2,Metalloporphyrin
更新于2025-09-23 15:19:57
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Mono- and bi-cyanoacrylic acid substituted phenothiazine based sensitizers for dye sensitized solar cells
摘要： Phenothiazine and cyanoacrylic acid moiety based sensitizers were synthesized for dye sensitized solar cell application. Absorption and electrochemical properties of the sensitizers having mono- and bi-substituted cyanoacrylic acids were studied. The mono-cyanoacrylic acid substituted phenothiazine sensitizer has more light harvesting ability due to its high molar extinction coefficient. The photovoltaic performance of mono-cyanoacrylic acid substituted phenothiazine sensitizer was slightly greater compared to the bi-cyanoacrylic acid substituted phenothiazine sensitizer which was attributed to the effect of anchoring groups in the sensitizer.
关键词： Solar energy materials,Spectroscopy,Anchoring group,Dye sensitized solar cells,Phenothiazine
更新于2025-09-12 10:27:22
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Efficiency enhancement of pyridinium ylide dye-sensitized solar cells by introduction of benzothiadiazolyl chromophore: A computational study
摘要： Organic pyridinium ylide sensitizers NO108-NO111 with different anchoring groups show attractive applications in dye-sensitized solar cells. To elucidate the intrinsic sensitization mechanism of this series of dyes, theoretical calculations of electrochemical and spectroscopic properties for free and adsorbed ylides have been performed. Moreover, to prescreen and optimize suitable candidates for pyridinium ylide cells, the benzothiadiazole (BTD) group is introduced in the best-performing ylide NO111, and the afforded dye is coded as NO111-1. Comparing pyiridine-N-oxide in NO108, diethylmalonate in NO111 shows superior properties in terms of interfacial charge transfer, anti-aggregation, and long-term stability. It also demonstrates that the novel designed NO111-1-sensitized film possesses higher average theoretical maximum limit of short-circuit photocurrent density (≈ 23 mA/cm2), and slower parasitic recombination than NO111 one. This result is expected to further reveal the effects of anchoring groups on properties of dyes, and is helpful for the design of more efficient pyridinium ylide dyes.
关键词： Self-assembly,Pyridinium ylide dye,Anchoring group,Interfacial charge transfer,Light harvesting
更新于2025-09-12 10:27:22
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Molecular geometry, synthesis and photovoltaic performance studies over 2-cyanoacetanilides as sensitizers and effective co-sensitizers for DSSCs loaded with HD-2
摘要： The design, synthesis and photovoltaic performance of metal-free 2-cyanoacetanilide based organic dyes, SA1-6 have been reported as sensitizers / co-sensitizers in dye sensitized solar cells (DSSCs). All dyes possess the thermodynamic requirements to be applied in DSSCs. The DFT and TD-DFT calculations were completed using Guassian09 package software. The obtained results showed appropriate charge separation between the ground state oxidation potential (GSOP) and excited state oxidation potential (ESOP) levels of the dyes. In addition, there was a good agreement between the theoretical and experimental data. Among the dyes, SA1-6, the co-sensitizer SA1 displayed the highest PCE of 8.02% with increasing in both (VOC) (0.0.682) and JSC (20.33 mA / cm2) which attributed to the smallest size of the dye facilizing largest surface area of TiO2 to be covered by the dye. Electrochemical impedance spectroscopy measurements, beside electron lifetimes of SA1-6 and HD-2 were obtained and are in good agreements with the experimental photovoltaic parameters.
关键词： 2-Cyanoacetanilide,DFT,anchoring group,Dye sensitized solar cells (DSSCs)
更新于2025-09-12 10:27:22
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Synthesis and investigation of double alternating azo group in novel para-azo dyes containing nitro anchoring group for solar cell application
摘要： To study the effect of Thiazole (as a heterocycle with donation group) in DSSCs, sample A was made without heterocycle, samples B and C contain one Thiazole and various donor group but sample D had two Thiazole group. Moreover, the effects of a double Azo group, and increasing the length of π-conjugation by reducing band gap trough heterocycle rings (donor-donor-π-acceptor system) and Nitro anchoring group were investigated. Nitro groups disappeared in IR at about 1340 and 1598 cm-1 which indicates that dyes successfully connected on TiO2. UV-vis and DRS analysis was studied in visible region that showed Red-shifts for the samples. The HOMO values obtained from the CV tests were calculated between -5.03 to 5.13 eV. The results show that D sample was better than others, showing a 0.5 V increase in its open-circuit voltage in the IV analysis. From the Electrochemical impedance spectroscopy (EIS), Rct value for D cell was measured to be 73.35 KΩ, which is bigger than the other samples, and in line with I-V analysis results.
关键词： DSSC,Nitro anchoring group,Para-azo dyes,Solar cell application
更新于2025-09-11 14:15:04
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Experimental and first principles investigations on the photoisomerization and electrochemical properties of chlorophosphonazo III
摘要： Photoresponsive molecules have been widely applied to solar cells and molecular devices. In this manuscript, we report the photoresponsive behaviours of chlorophosphonazo III, a cheap commercially available molecule and previously only used as a colorimetric reagent for earth metals, focusing on the photoisomerization properties in solution or on TiO2 substrates. Apart from the optomechanical properties, the chlorophosphonazo dye is found to generate a weak but non-negligible photocurrent under the visible light in aqueous environment. Density functional theory calculations are used to understand the structural, electronic and optical properties of the functional molecule. Possible routes to enhance the optoelectronic and optomechanical performance of chlorophosphonazo III toward multiple functions in integrated devices where both of the optomechanical and optoelectronic performances are desired are suggested.
关键词： Anchoring Group,Photocurrent,Photoisomerization
更新于2025-09-09 09:28:46