Photosensitizers For Solar Cells Research Articles

Metal Clusters Based Multifunctional Materials for Solar Cells.

As a multifunctional material, metal clusters have recently received some attention for their application in solar cells.This review delves into the multifaceted role of metal clusters in advancing solar cell technologies, covering diverse aspects from electron transport and interface modification to serving as molecular precursors for inorganic materials and acting as photosensitizers in metal-cluster sensitized solar cells (MCSSCs). The studies conducted by various researchers illustrate the crucial impact of metal clusters, such as gold nanoclusters (Au NCs), on enhancing solar cell efficiency through size-dependent effects, distinct interface behaviors, and tailored interface engineering. From optimizing charge transfer rates to improving light absorption and reducing carrier recombination, metal clusters prove instrumental in shaping the landscape of solar energy conversion.The promising performance of metal-cluster sensitized solar cells, coupled with their scalability and flexibility, positions them as a exciting avenue for future clean energy applications. The article concludes by emphasizing the need for continued interdisciplinary research and technological innovation to unlock the full potential of metal clusters in contributing to sustainable and high-performance solar cells.

Characterization of M-curcumin complexes (M= Cu, Co, Ag) in turmeric rhizome as sensitizer candidates in dye-sensitized solar cell (DSSC)

This experimental research aims to characterize the complex compound M-curcumin (M=Cu, Co, Ag) based on turmeric (Curcuma longa Linn) rhizome as a candidate for photosensitizer in solar cells. The basic material used for manufacturing the M-curcumin complex compound in this study was curcumin from turmeric rhizome extract added to Cu2+, Co2+, and Ag+ metal ions. The results of the synthesis of the M-curcumin complex were characterized by FTIR and Uv-Vis spectrophotometers. The FTIR spectrophotometer test showed a curcumin compound in the viscous curcumin extract, characterized by an absorption wave number corresponding to the curcumin compound. In the M-curcumin complex, the bond between the metal and the ligand only appears in the Co-curcumin complex at the absorption number of 498.77 cm -1. The results of the UV-Vis spectrophotometer test showed that the maximum wavelength absorption in curcumin extract was 430 nm (abs = 0.688), Cu-Curcumin complex lmax 300 nm (abs = 2.573), Co-curcumin complex lmax 425 nm (abs = 1.067), and complex Ag-Curcumin lmax 430 nm (abs = 1.36). The UV-Vis and FTIR characterization showed that the Co-curcumin complex has good potential compared to the organic compounds (curcumin) and can be used as an alternative photosensitizer in solar cells

Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution.

Mononuclear polypyridine ruthenium (Ru) complexes can catalyze various reactions, including water splitting, and can also serve as photosensitizers in solar cells. Despite recent progress in their synthesis, accurately modeling their physicochemical properties, particularly in solution, remains challenging. Herein, we conduct a theoretical investigation of the structural and electronic properties of a mononuclear Ru-aqua polypyridine complex in aqueous solution, considering five of its possible oxidation/protonation states species: [RuII(H2O)(py)(bpy)2]2+, [RuII(OH)(py)(bpy)2]+, [RuIII(H2O)(py)(bpy)2]3+, [RuIII(OH)(py)(bpy)2]2+ and [RuIV(O)(py)(bpy)2]2+, where py = pyridine and bpy = 2,2'-bipyridine. At first, we investigate the impact of proton-coupled and non-coupled electron transfer reactions on the geometry and electronic structure of the complexes in vacuum and in solution, using an implicit solvent model. Then, using a sequential multiscale approach that combines quantum mechanics and molecular mechanics (S-QM/MM), we examine the explicit solvent effects on the electronic excitations of the complexes, and compare them with the experimental results. The complexes were synthesized, and their absorption spectra measured in aqueous solution. To accurately describe the QM interactions between the metal center and the aqueous ligand in the MM simulations, we developed new force field parameters for the Ru atom. We analyze the solvent structure around the complexes and account for its explicit influence on the polarization and electronic excitations of the complexes. Notably, accounting for the explicit solvent polarization effects of the first solvation shells is essential to correctly describe the energy of the electronic transitions, and the explicit treatment of the hydrogen bonds at the QM level in the excitation calculations improves the accuracy of the description of the metal-to-ligand charge-transfer bands. Transition density matrix analysis is used to characterize all electronic transitions in the visible and ultraviolet ranges according to their charge-transfer (CT) character. This study elucidates the electronic structure of those ruthenium polypyridyl complexes in aqueous solution and underscores the importance of precisely describing solvent effects, which can be achieved employing the S-QM/MM method.

Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether

Two very important compounds diethylstilbestrol (DESB) and diethylstilbestrol dimethyl ether (DESME) were studied in the present work. DFT theory with B3LYP functional was used to study the vibrational spectra in detail along with other quantum mechanical studies. The compounds were found to interact with graphene monolayer and the results show that there is enhancement in various physicochemical descriptors and enhancement of Raman modes. Enhancement of polarizability values of molecule-graphene complex systems is responsible for the enhancement in Raman intensity of different vibrational modes. The global reactivity descriptors were found out. The compounds are efficient non-linear active materials. DESB and DESME are docked with androgen receptor for prostate cancer and the amino acid interactions are reported UV spectra were simulated using TD-DFT and is used to predict the light-harvesting efficiency and their ability to act as photo sensitizers in solar cells.

Production of cadmium sulfide quantum dots by the lithobiontic Antarctic strain Pedobacter sp. UYP1 and their application as photosensitizer in solar cells

BackgroundMicrobes are present in almost every environment on Earth, even in those with extreme environmental conditions such as Antarctica, where rocks may represent the main refuge for life. Lithobiontic communities are composed of microorganisms capable of colonizing rocks and, as it is a not so well studied bacterial community, they may represent a very interesting source of diversity and functional traits with potential for biotechnological applications. In this work we analyzed the ability of Antarctic lithobiontic bacterium to synthesize cadmium sulfide quantum dots (CdS QDs) and their potential application in solar cells.ResultsA basaltic andesite rock sample was collected from Fildes Peninsula, King George Island, Antarctica, and processed in order to isolate lithobiontic bacterial strains. Out of the 11 selected isolates, strain UYP1, identified as Pedobacter, was chosen for further characterization and analysis due to its high cadmium tolerance. A protocol for the biosynthesis of CdS QDs was developed and optimized for this strain. After 20 and 80 min of synthesis, yellow-green and orange-red fluorescent emissions were observed under UV light, respectively. QDs were characterized through spectroscopic techniques, dynamic light scattering analysis, high-resolution transmission electron microscopy and energy dispersive x-ray spectroscopy. Nanostructures of 3.07 nm, composed of 51.1% cadmium and 48.9% sulfide were obtained and further used as photosensitizer material in solar cells. These solar cells were able to conduct electrons and displayed an open circuit voltage of 162 mV, a short circuit current density of 0.0110 mA cm−2, and had an efficiency of conversion up to 0.0016%, which is comparable with data previously reported for solar cells sensitized with biologically produced quantum dots.ConclusionsWe report a cheap, rapid and eco-friendly protocol for the production of CdS QDs by an Antarctic lithobiontic bacterium, Pedobacter, a genus that was not previously reported as a quantum dot producer. The application of the biosynthesized QDs as sensitizer material in solar cells was validated.

2-Hexylthiophene-substituted Alizarin-based (D–π–A) Organic Dyes for Dye-sensitized Solar Cell Applications: Density Functional Theory and UV–Vis Studies

This work reports density functional theory and time-dependent density functional theory calculations of the optimized geometries, electronic structures and optical properties of molecular dyes D1, D2, D3, D4, D5, and D6 formulated through substitution of 2-hexylthiophene to alizarin using the hybrid functional B3LYP and 6-31G (d,p) basis sets. The dyes are considered as potential pigments for dye-sensitized solar cells. For all dyes, HOMO/LUMO (Highest Occupied Molecular Orbital/Lowest Unoccupied Molecular Orbital) analysis results in positive outcomes upon electron injection to semiconductors and subsequent dye regeneration by the electrolyte. It is found that charge transfer is from the thiophene and unsubstituted ring of alizarin to the substituted ring of alizarin containing C=O and OH groups. The C=O groups are observed to be very important in strengthening the dyes as they are revealed to be the anchoring group bonding to the TiO2 semiconductor. Comparatively, dye D6 is observed to possess high absorption ability and electron injection power through a study of the light-harvesting efficiency and injection driving force (Δ Ginject). The estimated values of open-circuit voltage ( Voc) for the computed dyes are also presented. Decisively, all the considered dyes prove to be useful as potential photosensitizers in solar cells using a TiO2 semiconductor and [Formula: see text] coupling electrolyte.

Preliminary Study of Effective Copper Indium Sulfide (CuInS2) Quantum Dots as Photo-sensitizer in Solar Cell

Recent studies showed that quantum dots (QDs) materials such as cadmium (Cd) and lead (Pb) are commonly used as sensitizer in solar cell applications. This is mainly because they have high potential in light harvesting. However, these materials are highly toxicity and very harmful to the environment. Therefore, current investigation reports the performance of quantum dots sensitized solar cells (QDSSCs) based on non-toxicity CuInS<sub>2</sub> QDs by using solvothermal process. TiO<sub>2</sub> paste were deposited by doctor blade method on transparent conducting fluorine doped tin oxide (FTO) glass substrates. The CuInS<sub>2</sub> nano sized QDs were controlled by different solvothermal reaction times of 2 hours, 4 hours, 6 hours and 8 hours. In this study, the morphology, structural and optical properties of prepared TiO<sub>2</sub>/CuInS<sub>2</sub> QDs thin films were investigated by using Transmission Electron Microscope (TEM), Atomic Force Microscope (AFM), X-ray Diffraction (XRD) and Ultra-Violet-Visible Near Infrared Spectrophotometer (UV-Vis). The diameter of CuInS<sub>2</sub> QDs was found to be increased from 3.19 nm to 8.67 nm with longer reaction time. Results showed that CuInS<sub>2</sub> QDs with longer reaction time produced higher conversion efficiency. Based on the experiment done, CuInS<sub>2</sub> QDs with 8 hours reaction time produced the best power conversion efficiency; 0.035 %. Regarding the considerable efficiencies obtained, pointed out that CuInS<sub>2</sub> QDs can be introduced as an effective photosensitizer for making efficient QDSSCs devices.

Experimental and computational study on electronic and photovoltaic properties of chromen-2-one-based organic dyes used for dye-sensitized solar cells

In the present work, three dyes of 6,7-dihydroxy-8-[(E)-(4-methoxyphenyl)diazenyl]-4-methyl-2H-chromen-2-one, (D1) 6,7-dihydroxy-8-[(E)-(4-hydroxyphenyl) diazenyl]-4-methyl-2H-chromen-2-one (D2), and 6,7-dihydroxy-4-methyl-8-[(E)-(4-methylphenyl) diazenyl]-2H-chromen-2-one (D3) were experimentally tested as photosensitizer in solar cell. and a computation study was conducted to explain the efficiency of these compounds as photo-sensitizer in a solar cell. The polarizability (<α > ), the anisotropy of the polarizability (<Δα > ), ground-state dipole moment (µ) and the first-order hyperpolarizability (β) of the dyes were studied at Density Functional Theory (DFT) using Gaussian 09 and Gauss View v.6.0 based on keywords: “opt freq b3lyp/6-311G++(d,p) guess = mix pop=(nbo, savenbos) geom = connectivity polar = optrot. Also, EHOMO (the highest occupied molecular orbital energy), ELUMO (the lowest unoccupied molecular orbital energy), HOMO-LUMO energy gap (ΔE), electron affinity (A), and ionization potential are investigated. The calculation based on the structure modification of the dyes with electron-withdrawing groups (HO-C and CH3-O-C) and electron repelling group (H3C-C) based on a push-pull framework of Qumarin was studied. The simulations indicate that the improvement of Qumarin-based dyes can reduce the energy gap and produce a redshift. This structural modification also improves the light-capturing and the electron injection capability, making it excellent in photoelectric conversion efficiency (PCE). This structural modification also improves the light-capturing and the electron injection capability, making it excellent in photoelectric conversion efficiency (PCE).

Natural dyes as photo-sensitizer in solar cells

The objective of this research is to employ the natural dyes in dye-sensitized solar cell (DSSC). On account of eco-friendly, renewable, and non-hazardous properties of natural dyes over silicon, a semiconductor, photo-sensitizer in conventional solar cells, cyclohexane extract of Terminalia alata, a natural dye, was employed as photo-sensitizer. The photoanodes ZnO and 5% Al-doped ZnO for DSSCs were developed by spray pyrolysis. The X-ray diffraction (XRD) has shown hexagonal wurtzite structure of ZnO with lattice constants a = 3.2487 Å and b = 5.1518 Å having particle size 25.85 nm for ZnO and 33.17 nm for Al-doped ZnO. The DSSC properties such as solar conversion efficiency (η), short-circuit current density (Jsc), open-circuit voltage (Voc), and fill factor (FF) were found to be 0.31%, 2.10 mA/cm2, 0.73V, and 45% for ZnO photoanode and 0.37%, 2.25mA/cm2, 0.70 V, and 52.10% for 5% Al-doped photoanode respectively.&#x0D; BIBECHANA 17 (2020) 27-32

Theoretical (DFT and TDDFT) insights into the effect of polycyclic aromatic hydrocarbons on Monascus pigments and its implication as a photosensitizer for dye-sensitized solar cells

Monascus pigments (MPs) as natural food pigments which have been extensively used in food industries, specifically in China, Japan, and other countries of southeastern Asian. The optoelectronic properties of the MPs with polycyclic aromatic hydrocarbons (PAHs) units have been investigated by using density functional theory (DFT) and time-dependent (TDDFT) at B3LYP and the 6-31G(d) basis set. These properties include total energies, Fermi energy, work function, orbital distributions (HOMO, LUMO), the HOMO-LUMO gap, the maximum open circuit voltage, maximum wavelength absorption, electronic transition energies, and the oscillator strengths. These methods and calculation procedures not only encourage a profound understanding of the association between the optoelectronic properties and chemical structures of the molecules but also can be utilized to design new molecule structures. We investigated the influence of the PAHs into the MPs and studied the optoelectronic properties on all molecules. The results showed that the maximum absorption wavelengths for MPs-PAHs are within the visible light region. Therefore, these molecules provide good performance for the photovoltaic devices and solar cells applications. SignificanceOur results showed that the total energy increase after addition of PAHs for MPs, this illustration that the molecules converted to more stability. The addition of PAHs can enhance HOMO, LUMO level which can upsurge reduce bandgap energy and also the faculty of electron injection. Where the bandgap energy lies in the range (2.242–3.012) eV. The λmax takes the values from 378.84 nm to 681.03 nm, where the lowest value for Ms. (S3) and highest for the Ms. (S1), where Ms. (S1) represents firsa t singlet excited state that is at about 681.03 nm but with a feeble absorption. We observed that the sturdy absorption peaks (Ms (S2), Ms-fluorene (S3), Ms-naphthalene (S3), and Ms-anthracene (S3)) are within the visible light region. These results of the dyes confirmation that these dyes are possible to be a perfect photosensitizer in solar cells.

Influence of precursor size in the hydrothermal synthesis of cellulose-based carbon nanodots and its application towards solar cell sensitization

Abstract The utilization of the abundant yet environmentally polluting green algae as renewable source for new materials is highly desirable. This study presents the utilization of raw cellulose (RC) and cellulose nanocrystals (CNC) extracted from the green algae Cladophora rupestris as precursors for carbon nanodots (CNDs) and its potential use as photosensitizer in solar cell. The results of the hydrothermal treatment of the celluloses afforded spherical CNDs with average dimension of 5.79 ± 1.60 nm (TEM) and having crystalline property (d-spacing of 0.253 ± 0.050 nm) indicating graphitic nature. The size distribution and the ease of the CND formation have been shown to be influenced by the size and morphology of the cellulose precursor. The nanometer-sized crystalline CNCs afforded higher CND yield (54.6 ± 2.71%) compared to the micrometer-sized amorphous RC (37.2 ± 2.76% CND yield). However the size polydispersity of the latter was observed to be narrower at 10.0 ± 3.74 nm (AFM) compared to the former (76.9 ± 73.1 nm; AFM) attributed to clustering or aggregation aided by the presence of hydrophilic functional groups. Indeed, the FT-IR and TOF-SIMs analyses of the CNDs confirmed the presence of hydroxyls, oxides, and carbonyl functional groups that can facilitate the clustering. The CNDs exhibit photoluminescence upon UV irradiation and optical characterization using UV–Vis and Fluorescence Spectroscopy supported the structural and functional group analysis of carbon nanodots. Fabrication of the CND-sensitized solar cell showed the potential of CNDs as photosensitizer albeit in lower yield compared to the positive control.

Synthesis, Structure, Optical, and Electrochemical Properties of Iridium(III) Complexes with 2-Arylphenantroimidazoles and Dibenzoylmethane

New cyclometalated neutral iridium(III) complexes [Ir(L)2(dbm)] have been synthesized, where L is 2-arylphenanthroimidazoles with various electron-donor or acceptor substituents, dbm is dibenzoyl-methane. The compositions and structures of the ligands and complexes have been studied by X-ray diffraction and high-resolution mass spectrometry. In the absorption spectra of the complexes, a bathochromic shift of the absorption maxima is observed with an increase in the electron donor properties of the ligands. All the complexes show the reversible redox behavior; redox potentials fall in the range of 0.8–1.6 V. The combination of the obtained results allows us to consider the synthesized compounds as potential photosensitizers in solar cells.

Fruit extract dyes as photosensitizers in solar cells

Fruit extract dyes as photosensitizers in solar cells

Fruit extract dyes as photosensitizers in solar cells

6+ . The leaf powder was found to be stable for at least one year when kept in dry condition at room temperature. However, compositions of plant parts are known to vary due to various factors like variety, climate, soil, competition, diseases, etc. Therefore, the same batch of reagents should be used for preparing the calibration curve and analysis of samples. Table 3 lists other plant extracts that gave similar colour reaction as S. jambolanum. Therefore, it may be concluded that compounds responsible for the colour reaction are widely distributed. The S. jambolanum extract gave a deep purple colour with ferric iron, lemon yellow colour with titanium and a bluish colour with vanadate ion. A compound like quercetin or tannic acid may be involved in colour development.

Alloying effect on performances of bimetallic Ag–Au cluster sensitized solar cells

We investigate effects of alloying Ag–Au clusters on optical absorptions and performances of solar cells. Against optical spectra of pure Ag and Au clusters, the optical spectrum of Ag–Au clusters redshifts and broadens. The alloying Ag–Au cluster modified TiO2 electrode improves short-circuit current density and maximum power conversion efficiencies of solar cell and keeps photocurrent stability of solar cell compared with that of pure Ag or Au cluster modified TiO2 electrodes. Alloying Ag–Au clusters can function as a new photosensitizers for solar cell.

Pyranoflavylium Derivatives Extracted from Wine Grape as Photosensitizers in Solar Cells

Pyranoflavylium derivatives, namely cyanidin-3-glucoside, malvidin 3-O-glucoside, malvidin 3-O-coumaroylglucoside, cyanidin 3-glucoside-pyruvic acid adduct and malvidin 3-glucoside-pyruvic acid adduct, extracted from red grapes were used as sensitizers in dye-sensitized solar cells (DSSCs). With these natural dyes, cell's efficiencies ranged up to 0.08%. The cyanidin based dyes were more efficient as sensitizers than the malvidin molecules and the presence of the pyruvic acid adduct decreased efficiency. Furthermore, the use of drops of Port wine in the production of DSSCs resulted in an efficiency of 0.025%. Although the obtained efficiencies still need improvements for an industrial application, it is given further evidence that wine dyes can harvest and convert sunlight into electricity through a process that mimics natural photosynthesis.

Aggregation behavior of differently substituted Ru(II)-complex dyes as sensitizers for electrodeposited ZnO solar cells

Abstract Properties of newly developed Ru(II)-complex dye, cis -bis(isothiocyanato) (2,2′-bipyridyl-4,4′-dicarboxylato) ( N -(4-butoxyphenyl)- N -2-pyridinyl-2-pyridinamine)-ruthenium(II) (J13), having a triarylamine ligand have been studied in comparison with cis -bis(isothiocyanato) bis(2,2′-bipyridyl-4,4′-dicarboxylato)-ruthenium(II) (N3), as photosensitizers for solar cells employing electrodeposited porous ZnO thin films. Quantification of dye loading as well as change of the film morphology on extension of the soaking time in solutions of these dyes indicated spontaneous monolayer formation of the J13 dye, in contrast to the strongly aggregating N3 dye. Overloading of the N3 dye molecules not directly bound to ZnO caused decreased J sc as well as worsening of F.F. , so that the efficiency of the N3 cell created a peak with a moderate dipping time. On the other hand, the efficiency of the J13 cells simply saturated to a value of ca. 4% as the dye monolayer was formed, indicating its better chemical match with ZnO.

Study on the Feasibility of Bacteriorhodopsin as Bio-Photosensitizer in Excitonic Solar Cell: A First Report

Bacteriorhodopsin (bR) is a membrane protein found in the archae Halobacterium salinarum. Here, we studied wild type bR and especially the triple mutant bR, 3Glu [E9Q/E194Q/E204Q], in combination with wide gap semiconductor TiO2 for their suitability as efficient light harvester in solar cell. Our differential scanning calorimetry data show thermal robustness of bR wild type and 3Glu mutant, which make them good candidates as photosensitizer in solar cells. Molecular modeling indicates that binding of bR to the exposed oxygen atoms of anatase TiO2 is favorable for electron transfer and directed by local, small distance interactions. A solar cell, based on bR wild type and bR triple mutant immobilized on nanocrystalline TiO2 film was successfully constructed. The photocurrent density-photo voltage (J-V) characteristics of bio-sensitized solar cell (BSSC), based on the wild type bR and 3Glu mutant adsorbed on nanocrystalline TiO2 film electrode were measured. The results show that the 3Glu mutant displays better photoelectric performance compared to the wild type bR, giving a short-circuit photocurrent density (J(sc)) of 0.09 mA/cm2 and the open-circuit photovoltage (V(oc)) 0.35 V, under an illumination intensity of 40 mW/cm2.

Design, Synthesis, and Application of Amphiphilic Ruthenium Polypyridyl Photosensitizers in Solar Cells Based on Nanocrystalline TiO2 Films

Reference LPI-ARTICLE-2002-028doi:10.1021/la0110848View record in Web of Science Record created on 2006-02-21, modified on 2017-05-12

98/00474 Use of azine dye as a photosensitizer in solar cells: different reductants—safranine systems

98/00474 Use of azine dye as a photosensitizer in solar cells: different reductants—safranine systems