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Synthesis of Ruthenium Tris-Diimine Photosensitizers Substituted by Four Methylphosphonate Anchoring Groups for Dye-Sensitized Photoelectrochemical Cell Applications
摘要： The design and synthesis of ruthenium tris-diimine photosensitizers appropriately functionalized to be (i) anchored onto transparent conductive oxides (TCO) and (ii) covalently coupled with a water-splitting catalyst represents an important target for solar fuel production in dye-sensitized photoelectrochemical cells (DS-PECs). In this study, two different synthetic routes to prepare heteroleptic [Ru(4,4′-(CH2PO3Et2)2-bpy)2(N^N)](PF6)2 complexes are evaluated, the scope and limitations of the organometallic pathway involving half-sandwich η6-arene ruthenium complexes as synthetic intermediates being especially studied. The spectroscopic and electrochemical characterization of a series of novel structures varying by the nature of the third diimine N^N ligand is reported.
关键词： Photoelectrochemistry,Photosensitizers,Anchoring groups,Ruthenium
更新于2025-11-19 16:56:35
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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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[IEEE 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC) - Munich, Germany (2019.6.23-2019.6.27)] 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC) - Liquid Crystal Alignment on the Patterns Produced by Nonlinear Laser Lithography
摘要： Liquid crystal (LC) based devices such as displays, spatial light modulators (SLM) and different switchable phase masks constitute the main part of the graphic information display and light control. Mechanical rubbing and photo-alignment are the most widely used industrial technologies to create anisotropic surfaces for these devices. Recently, nonlinear laser lithography (NLL) was introduced as a fast, cost effective method for large area nano-grating fabrication based on laser-induced periodic surface structuring [1]. Here we report on alignment of nematic LC on NLL treated Ti film deposited on glass for the first time. We demonstrate controllable changes of azimuthal anchoring energy (AAE) depending on processing and additional coating parameters. To create the large area of structured Ti layers we used the experimental scheme of the NLL method, as described in [2]. The setup consists of a home-made femtosecond fiber laser system (up to 1.8 μJ pulse energy at 1 MHz repetition rate), galvanometer-scanner and motorized 3D–translation stage. The samples were 300 nm Ti films deposited on glass. 5x5 mm2 zones were structured by raster scanning of the laser beam over the surface with different parameters. To measure the twist angle and further calculate the AAE we have made combined twist LC cells. LC cells consisted of the tested and reference substrates where the last one was a glass substrate coated with a polyimide PI2555 and processed by the rubbing technique. The first type of the tested substrate was coated with Ti layer and further processed by the NLL method. The second type of the tested substrate was additionally coated with ODAPI. The twist angle was measured by using the combined twist LC cell method. Later, the AAE was calculated from the obtained twist angles of different samples. Fig. 1 (a-c) demonstrates dependencies of the measured twist angles and calculated AAE for different samples. We obtain controllable changes of the anchoring energy in the range between 2x10-6 J/m2 to 10-4 J/m2. The highest AAE 10-4 J/m2 is obtained for the samples which are processed by NLL with post-coating by ODAPI.
关键词： Azimuthal anchoring energy,Liquid crystal alignment,Nonlinear laser lithography,Nematic LC,Ti film
更新于2025-09-23 15:19:57
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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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Porphyrin dyes bearing heterocyclic anchoring groups for dye-sensitized solar cells with enhanced efficiency and long-term stability: further optimization of champion porphyrin dye SM315
摘要： In order to further enhance the long-term stability of porphyrin-based dye-sensitized solar cells (DSSCs) without losing their high efficiency, a serious of porphyrin sensitizers based on the champion dye SM315 but differing in the anchoring groups were theoretically investigated. Compared with SM315 with carboxylic acid anchoring groups, our results demonstrate that porphyrin dyes with hydantoin and barbituric acid anchoring groups exhibit stronger adsorption stability because of the larger orbital interactions between the dye and the semiconductor surface, according to the energy decomposition analysis. Furthermore, porphyrin dyes with these two heterocyclic anchoring groups can also display a superior or comparable charge separation and injection, light harvesting ability and conduction band energy shift, which are the key factors that affect the performance of DSSCs. These results highlight the great potential hydantoin and barbituric acid anchoring groups possess as effective alternatives to carboxylic acid anchoring groups for porphyrin dyes, which could yield an enhanced efficiency and long-term stability and worthy of being experimentally synthesized.
关键词： Adsorption stability,Porphyrin,Heterocyclic anchoring groups,Dye-sensitized solar cells,Theoretical study
更新于2025-09-23 15:19:57
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Curvature-Induced Twist in Homeotropic Nematic Tori
摘要： We confine a nematic liquid crystal with homeotropic anchoring to stable toroidal droplets and study how geometry affects the equilibrium director configuration. In contrast to the case of cylindrical confinement, we find that the equilibrium state is chiral—a twisted and escaped radial director configuration. Furthermore, we find that the magnitude of the twist distortion increases as the ratio of the ring radius to the tube radius decreases; we confirm this with computer simulations of optically polarized microscopy textures. In addition, numerical calculations also indicate that the local geometry indeed affects the magnitude of the twist distortion. We further confirm this curvature-induced twisting using bent cylindrical capillaries.
关键词： twist distortion,nematic liquid crystal,curvature-induced twisting,chiral,toroidal droplets,homeotropic anchoring
更新于2025-09-23 15:19:57
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In Depth Analysis of Photovoltaic Performance of Chlorophyll Derivative-Based a??All Solid-Statea?? Dye-Sensitized Solar Cells
摘要： “all solid-state” dye-sensitized solar cells (DSSCs) with chlorophyll derivatives were integrated into a mesoporous TiO2 electrode and 2,2′,7,7′-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene as the hole-transport material. Despite modest power conversion efficiencies (PCEs) between 0.26% and 0.55% achieved for these chlorin dyes, a systematic investigation was carried out in order to elucidate their main limitations. To provide a comprehensive understanding of the parameters (structure, nature of the anchoring group, adsorption . . . ) and their relationship with the PCEs, density functional theory (DFT) calculations, optical and photovoltaic studies and electron paramagnetic resonance analysis exploiting the 4-carboxy-TEMPO spin probe were combined. The recombination kinetics, the frontier molecular orbitals of these DSSCs and the adsorption efficiency onto the TiO2 surface were found to be the key parameters that govern their photovoltaic response.
关键词： EPR,chlorophyll,spirulina,solid state dye sensitized solar cells,anchoring groups
更新于2025-09-19 17:13:59
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A Photoelectrochemical Study of Bioinspired 2-Styryl-1-Benzopyrylium Cations on TiO2 Nanoparticle Layer for Application in Dye-Sensitized Solar Cells
摘要： In the present work, five 2-styryl-1-benzopyrylium salts and their relative self-assembly processes towards TiO2 nanocrystalline layers were evaluated as photosensitizers in dye-sensitized solar cells (DSSCs). Integration of these 2-styryl-1-benzopyrylium salts with the semiconductor allow for the performance of highly specific functions suitable for smart applications in material science. Spectroscopic and photoelectrochemical measurements conducted on these five bio-inspired dyes, in solution and upon adsorption onto titanium dioxide films, allowed detailed discussion of the anchoring ability of the different donor groups decorating the 2-styryl-1-benzopyrylium core and have demonstrated their ability as photosensitizers. Our results suggest that the introduction of a dimethylamino group in position 4' of the 2-styryl-1-benzopyrylium skeleton can alter the conjugation of the molecule leading to larger absorption in the visible region and a stronger electron injection of the dye into the conduction band of TiO2. Moreover, our experimental data have been supported by theoretical calculations with the aim to study the energy of the excited states of the five compounds. In this specific case, the simulations reported contributed to better describe the properties of the compounds used and to help create the necessary basis for the design of new and targeted bio-inspired molecules.
关键词： molecular synthesis,self-assembly materials,theoretical calculations,anchoring functional group,nanocrystalline layers,benzopyrylium salts,dye-sensitized solar cells
更新于2025-09-16 10:30:52
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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