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CsPbBr <sub/>3</sub> Quantum Dots as Artificial Antennas to Enhance the Light-Harvesting Efficiency and Photoresponse of Zinc Porphyrin
摘要： Broadening the spectral range and enhancing the efficiency of light-harvesting materials are important to the design of novel optoelectronic devices. In this work, CsPbBr3 quantum dots (QDs) are introduced as artificial antennas to enhance both the light-harvesting efficiency and photoresponse of zinc porphyrin (ZnP). The Fluorescence Resonance Energy Transfer (FRET) process both in solution and films from the donor CsPbBr3 QD to the acceptor ZnP have been systematically investigated, and an energy transfer efficiency over 70% in solution and a high optical sensitivity have been realized with the optimal of QD/ZnP ratio on films. A photocurrent density of up to 1.00×10-4 A·cm-2 can be achieved for the QD/ZnP film, and the corresponding on/off photocurrent value can be increased by two orders of magnitude compared with that of ZnP. Furthermore, the as-prepared light-harvesting film also demonstrates a high optical sensitivity at the optimal QD/ZnP ratio. Our research provides an effective way for designing and improving the QD/ZnP “antenna” for solar-energy harvesting devices.
关键词： Zinc Porphyrin,CsPbBr3 Quantum Dots,FRET,Photoresponse,Light-Harvesting Efficiency
更新于2025-09-19 17:13:59
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Heteroaromatic rings as linkers for quercetin-based dye-sensitized solar cell applications: a TDDFT investigation
摘要： The electronic properties of quercetin (Q)–π–cyanoacrylic acid (CNA) dye molecules using heteroaromatic rings, namely cyclopentadiene (F1), furan (F2), pyrrole (F3), thiophene (F4), oxazole (F5), imidazole (F6), thiazole (F7), isoindene (FF1), benzofuran (FF2), indole (FF3), benzothiophene (FF4), benzoxazole (FF5), benzimidazole (FF6), and benzothiazole (FF7), as π-linkers are studied for the first time using Time-Dependent Density Functional Theory (TDDFT) with dimethyl sulfoxide (DMSO) as solvent to predict their excitation energy, absorption wavelength, oscillator strength, light harvesting efficiency, and exciton binding energy. The charge transfer and charge regeneration in the ground and excited states of the dyes are established. The photon to electron energy transfer from the dye (quercetin) to the semiconductor (TiO2) surface is analyzed based on intramolecular charge transfer. The results of the electron transfer studies on these newly designed dyes could be used to enhance the performance of resulting dye-sensitized solar cells.
关键词： Molecular orbital,Quercetin dye,Absorption spectra,Dye-sensitized solar cell,Light harvesting efficiency
更新于2025-09-16 10:30:52
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N719 Derivatives for Application in a Dye-Sensitized Solar Cell (DSSC): A Theoretical Study
摘要： The primary goal of this investigation is to analyze the influence of the chemical modifications on the electronic structures of N719 derivatives for their use in Dye-Sensitized Solar Cells (DSSC), by employing Density Functional Theory (DFT). UV-Visible spectra indicate that the electronic configurations are essential to study the absorption of solar irradiation and to analyze the charge transport mechanism between the Electron Transport Layer (ETL), the electrolyte, and the dye. Open and closed-shell electronic configurations are related to the absorption and the excitation energies of the dye. According to the results reported here, it is possible to say that the best candidates are N719, N719-2, N719-7, and N719-8 (neutral and di-anionic). They may be used as useful dye sensitizers due to their bandgap and band alignment with the ETL, which contributes to having an effective charge transport during the functioning of the solar device. Another parameter that is reported in this investigation is the Light-Harvesting Efficiency (LHE) for all studied systems. This could help to improve the performance of the device since there is an increment in the generation of charge carriers. These results could be useful as a guide for experimental investigations on chemical modifications of these sensitizers.
关键词： UV-Visible Spectra,Light-Harvesting Efficiency,Molecular Structure,Spectroscopy,DFT,N719 Derivatives,Theoretical Study,Quantum Chemistry,Density Functional Theory,DSSC,Dye-Sensitized Solar Cell,LHE
更新于2025-09-12 10:27:22
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Stilbene Based Organic Dye as Efficient Sensitizer for NLO and Dye-Sensitized Solar Cells: A First Principle Study
摘要： In this study, we have designed five different Stilbene based dyes as efficient sensitizers for Nonlinear Optical Properties (NLO) and Dye-Sensitized Solar Cells (DSSCs). Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) have used to investigate molecular properties, in order to influence and performance of the dye sensitizer in the DSSCs. The theoretical result indicates that the HOMO and LUMO energy levels of this dye can be ensured a positive effect on the process of photoelectron injection into semiconductor surface and dye regeneration by the electrolyte. The solar energy conversion efficiency, effective key parameters in influence with the Short-Circuit Current Density (JSC), Light Harvesting Efficiency (LHE) and Electron injection driving force (?Ginject) were discussed. The Stilbene-based dyes can be used as a potential sensitizer for photoelectron injection into the semiconductor surface due to its best electronic structure and optical properties of the good photovoltaic parameters.
关键词： Reorganization energy,Light Harvesting Efficiency,Driving force,Short-Circuit Current Density,Dye sensitizer
更新于2025-09-12 10:27:22