Use In Dye-sensitized Solar Cells Research Articles

Fabrication of dye-sensitized solar cells with natural dye pigments derived from mustard green (Brassica juncea L) and turmeric (Curcuma longa L)

Abstract Natural dye molecules are good alternatives for the ruthenium-based sensitizer for use in dye-sensitized solar cell (DSSC) application. In this research, we have reported the potential application of natural pigment extracts as a dye-sensitizer in DSSC. Natural dyes were extracted using simple maceration technique from natural sources such as mustard green (Brassica juncea L) and turmeric (Curcuma longa L). UV-Vis and FT-IR characterization were employed to examined the optical characteristics and identify their functional groups of the dyes, respectively. The UV-Vis characterization of mustard green dye and turmeric dye show a wide absorption in visible region. The FT-IR spectrum of mustard green dye and turmeric dye show the presence the anchoring groups. The DSSC’s performance was studied using current-voltage (I-V) measurements and electrochemical impedance spectroscopy (EIS). It was observed that the DSSC with turmeric dye shows better photovoltaic performance than DSSC with mustard green dye correlated to its longer charge carrier lifetime.

Synthesis, characterization, and photocatalytic performance of gold ions implanted TiO2/graphene nanocomposites for efficient dye photodegradation

The suggested work provides a hydrothermal technique for the synthesis of TiO2/graphene nanocomposites with different weight percentages of graphene (0.0 %, 5.0 %, 10.0 %, and 15.0 %). These composites were implanted with gold ions at a fluence of 1 × 1013 ions/cm2 by using a pelletron accelerator. The structural and physical properties were investigated by utilizing XRD, FESEM, FTIR, EDX, and UV–Vis spectroscopy. The XRD data verified the existence of TiO2 with a rutile crystal phase. FESEM morphology showed that TiO2 particles had aggregated on graphene layers and had a semi-spherical shape. The functional groups present in the sample were identified using FTIR for TiO2 and TiO2/graphene nanocomposites. The stoichiometric ratios of all the constituent elements and the homogeneous composition were confirmed using EDX analysis. The UV–Vis spectroscopy revealed that the optical bandgap decreased from 3.15 eV to 2.80 eV. Additionally, the photocatalytic activity for the degradation of methylene blue (MB) under UV light was investigated. The photocatalytic performance was improved with increased graphene content. The evaluated data reveals that the sample with 10 % graphene has the maximum photocatalytic activity and rate constant. These findings suggest that gold-implanted TiO2/graphene nanocomposites favor photocatalytic applications and use in dye-sensitized solar cells.

The effect of applying lead ion to the surface of TiO2 on dye-adsorption rate and photovoltaic properties of solar cells

Lead ion was incorporated into TiO2 layers prepared on an F-doped tin oxide (FTO) substrate. The resulting electrodes (Pb2+-TiO2/FTO) were sensitized with N719 dye and put to use in dye-sensitized solar cells (DSCs). Owing to the electrostatic attraction between the positively charged TiO2 and the carboxylate anions (–COO−) in the N719 dye, more dye was adsorbed into the Pb2+-TiO2/FTO, which required only 2 h for sensitization, than in a reference TiO2/FTO electrode that was sensitized for 8 h. The power conversion efficiency of a DSC with the Pb2+-TiO2/FTO rose to 10.01 % over the efficiency (9.29 %) of the reference device. It was found that the increased dye adsorption in the Pb2+-TiO2/FTO allowed the cells to more efficiently harvest light and collect electrons, resulting in a higher short-circuit current in the DSC. The larger amount of dye also induced a higher open-circuit voltage in the cell by increasing the total number of photoinjected electrons and prolonging their lifetime.

Synthesis and Photovoltaic Performance of β-Amino-Substituted Porphyrin Derivatives.

New β-amino-substituted porphyrin derivatives bearing carboxy groups were synthesized and their performance as sensitizers in dye-sensitized solar cells (DSSC) was evaluated. The new compounds were obtained in good yields (63-74%) through nucleophilic aromatic substitution reactions with 3-sulfanyl- and 4-sulfanylbenzoic acids. Although the electrochemical studies indicated suitable HOMO and LUMO energy levels for use in DSSC, the devices fabricated with these compounds revealed a low power conversion efficiency (PCE) that is primarily due to the low open-circuit voltage (Voc) and short-circuit current density (Jsc) values.

Impact of Various Solvents on Extraction of Anthocyanins from Blueberry for Use in Dye-sensitized Solar Cells

Impact of Various Solvents on Extraction of Anthocyanins from Blueberry for Use in Dye-sensitized Solar Cells

Development of organic co-sensitizers based on piperonal for over 10% efficient ruthenium complex dye-sensitized solar cells

In this study, two new piperonal-based organic dyes, designated D-1–2, were synthesized for use in dye-sensitized solar cells (DSSCs). The dyes studied have a D-π-A configuration and have undergone molecular engineering to fine-tune their spectral properties and energy levels. A comprehensive analysis involving both experimental and theoretical approaches was performed to investigate their optical, electrochemical, photovoltaic, geometrical, and electronic features. These newly developed dyes exhibit notably strong UV–vis absorption, with high molar extinction coefficients, making them an attractive option as co-sensitizers for ruthenium-based dye-sensitized solar cells (DSSCs). Co-sensitization at a concentration of 0.2 mM resulted in a significant increase in the PCEs of DSSCs, ranging from 7.90 % to 10.43 %, compared to the PCE of 7.31 % for DSSCs sensitized solely with N719. The improvement in PCEs can be attributed to the enhanced JCSS and Voc achieved through co-sensitization, highlighting the potential benefits of utilizing co-sensitizers to develop more efficient DSSCs. The highest PCE achieved was 10.43 %, with a Jsc of 19.05 mA.cm−2 and a VOC of 750 mV for the mixed co-sensitizers (D-1 + D-2 + N719). These findings indicate that cocktail co-sensitization is a promising strategy for constructing efficient D-π-A-type sensitizers and for evaluating the performance of DSSCs. Additionally, incident photon-to-current efficiency (IPCE) and electrochemical impedance spectroscopy (EIS) studies provide insights into the mechanisms responsible for these improvements. Based on the IPCE study, the increase in Jsc during co-sensitization is due to less photocurrent loss from the electrolyte. EIS experiments showed that making a monolayer of sensitizers that was denser and more organized probably led to less electron recombination between the injected electrons and the electrolyte. This could be because the dyes were absorbed more. The findings of this study suggest that D-1–2 co-sensitizers might be game-changers in the development of more effective DSSCs. In addition, this investigation provides crucial information regarding the underlying systems.

Enhancing optoelectronic properties of phosphonic acid based dyes via donor unit variation: A DFT/TD-DFT investigation

In this work, nine phosphonic acid-based dyes adopting the structure D-π-A′-π-A were designed and examined using the density functional theory (DFT) approach to assess their potential application in dye-sensitized solar cells (DSSCs). By incorporating various donor moieties, including carbazole, triphenylamine, phenothiazine, phenoxazine, and coumarin, the relevant key parameters to short-circuit photocurrent density and open-circuit voltage of the designed dyes were assessed. These parameters include the driving force of electron injection (ΔGinj), the spontaneity of dye regeneration (ΔGreg), the charge transfer distance (DCT), the reorganization energies, and the nonlinear optical (NLO) properties were computed. All calculations were performed via the implicit CPCM method in chloroform as solvent medium. The calculated results reveal that the incorporation of different donor units resulted in a narrower bandgap, higher molar extinction coefficient, red-shift in the absorption spectra, better intramolecular charge transfer, and increase in light-harvesting efficiency for dyes where the donor unit is connected by the phenyl in contrast to the T-shaped structure where the donor unit is connected via the nitrogen atom. These findings offer valuable insights into optimizing the optoelectronic properties of phosphonic acid-based dyes for potential use in DSSCs.

The effect of π-spacer on D-A'-π-a system organic dyes for dye-sensitized solar cells (DSSCs) technology: a computational approach”

Abstract The globe is consuming more energy as a result of population growth and economic development. One of the most important forms of renewable energy for human usage is solar energy. By modifying the π-spacers, four D-A'-π-A of novel organic dye molecules (D1–D4) have been created in this study. To evaluate the optoelectronic capabilities and photovoltaic qualities of four D-A'-π-A new organic dyes created molecules, density functional theory (DFT) and time-dependent DFT (TD-DFT) theory methodologies through the B3LYP and 6-311G basis set have been employed. To ascertain the effect of developed π-spacer on enhancing intramolecular charge transfer (ICT) and enhancing light-absorbing capacities, a number of crucial factors, including molecular geometry, energy bandgap and light-harvesting efficiency (LHE), have been studied. Based on the available data, D4 outperforms the other four developed organic dye molecules, with energy bandgap of 1.4896 and 1.4253 eV for gas and solvent phase, respectively, regeneration driving forces (ΔGreg) of 0.0469 and 0.0300 eV for the gas phase and solvent phase, respectively, and open-circuit voltages (Voc) of 0.6427 and 0.5953 eV for the gas phase and solvent phase, respectively. Additionally, the maximum absorption wavelengths (λmax) for the gas phase and solvent phase are 932.03 and 1013.81 nm, respectively. Consequently, it was found that the D4 dye molecule was a more promising option for the use of dye-sensitized solar cells (DSSCs) technology hence advised for more practical research to provide efficient advancements in the D-A'-π-A system organic dye for the production of sustainable energy.

Quantum Chemical Studies of Sensitizers Designed for Dye-Sensitive Solar Cells

In this study, two different organic dyes with a D-π1-R-π2-A structure were designed from the reference dye E0 with a D-π1-π2-A structure (E3-E4). By adding 2,3-dicyanopyrirazinophenanthrene between the π-bridges on the reference dye E0 and changing the π-bridge, dyes designed to examine the photovoltaic features for use in dye-sensitized solar cell (DSSC) devices were obtained. Various properties of the designed dyes, such as their geometrical structures, absorption spectra, nonlinear optical properties (NLOs), energy levels, boundary molecular orbitals, and some photovoltaic and chemical reactivity parameters, were investigated using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods to improve the performance of Dye-Sensitized Solar Cells (DSSCs). The calculated theoretical results concluded that E4 of the designed dyes can have a high short-circuit current and better power conversion energy (PCE) compared with E0. These results indicate that adding different auxiliary ligands and modifying the π-bridges can effectively improve the photovoltaic performance of the system.

Theoretical and conceptual framework to design D-π-A type organic dyes for application dye-sensitized solar cells

The optimized structures and absorption spectra of five D-A-type organic dyes (M1, M2, M3, M4, and M5) were investigated using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). These dyes contain the same electron acceptors and -spacers but distinct 3,6- and 2,7-carbazole electron-donating groups. The results showed coplanar geometries for the dyes, which implied strong conjugation. When intramolecular charge transfer was investigated, it was discovered that 3,6-carbazole had a better capacity to give electrons than 2,7-carbazole. These dyes' projected orbital energy levels indicate that excited dyes might successfully decrease by electrolyte while oxidized dyes could successfully inject electrons into semiconductor conduction bands. The study investigated the suitability of different dyes for use in dye-sensitized solar cells (DSSCs) and found that the M2 dye, which contains a thio group as the terminal electron donor, exhibited the most promising optoelectronic properties. In particular, M2 had a narrow energy gap, superior optical qualities, optimal FMO energy levels, the lowest total value, and greater GInject and GReg values compared to the other dyes tested. These factors contributed to M2's superior photosensitizing performance, suggesting that using M2 in DSSCs may lead to higher optoelectronic characteristics and total energy conversion efficiency compared to using other dyes.

Effect of electron donor groups on the performance of benzothiadiazole dyes with simple structures for dye-sensitized solar cells

Three structurally simple metal-free organic dyes (C1, C2 and C3) with D–A–π–A structure, having benzothiadiazole auxiliary acceptor, benzene π-bridge and cyanoacrylic acid anchoring group, were designed and synthesized for use in dye-sensitized solar cells (DSSCs). Diphenylamine, carbazole and phenothiazine were used as electron donor groups and their effects on the photovoltaic performance were investigated. It was found that C1 dye with diphenylamine donor has the longest maximum absorption wavelength and highest molar extinction coefficient, which is benefical for harvesting more photons and generating a higher photocurrent. Therefore, the DSSC based on C1 dye gives a power conversion efficiency (PCE) of 5.01 %, which is greater than those of C2 dye with carbazole donor (3.51 %) and C3 dye with phenothiazine donor (1.76 %). Finally, the co-sensitization of C1 and C2 exhibits a highest PCE of 5.49 % may be due to broader visible light absorption.

Synthesis of reduced graphene oxide coated with Au@Au2S nanocomposite and study of its photovoltaic properties for use in dye-sensitized solar cells

Synthesis of reduced graphene oxide coated with Au@Au2S nanocomposite and study of its photovoltaic properties for use in dye-sensitized solar cells

Cocktail co-sensitization of two novel metal-free dyes and N-719: A promising strategy for enhanced performance of dye-sensitized solar cells

The present investigation involved the synthesis and characterization of two novel metal-free dyes, MOS-1 and MOS-2, intended for use in dye-sensitized solar cells (DSSCs). MOS-1 and MOS-2 showed strong absorption in the visible region, making them suitable for co-sensitization with N719, a commonly used ruthenium-based dye in dye-sensitized solar cells (DSSCs). We compared the efficiency of DSSCs using MOS-1 and MOS-2 with N719, only MOS-1 or MOS-2, and only N-719. Co-sensitization of MOS-1, MOS-2, and N719 at the same concentration of 0.2 mM resulted in the highest efficiency of 10.45%, which was 1.4 times higher than N-719 alone. MOS-1 and MOS-2 alone also yielded impressive efficiencies of 4.75% and 5.18%, respectively. However, their efficiency was lower than N719 alone (7.27%). The enhanced efficiency of the co-sensitization system can be attributed to broader absorption and efficient electron injection, resulting in increased photocurrent and open-circuit voltage. Further information about the processes accountable for the photovoltaic enhancements was obtained through the utilization of incident photon to current efficiency (IPCE) and electrochemical impedance spectroscopy (EIS) evaluations. IPCE results showed that the increase in Jsc was due to a reduction in photocurrent loss caused by the electrolyte (I-/I3-). EIS studies indicated that electron recombination was reduced, likely due to the formation of a more compact and ordered monolayer of sensitizers resulting from increased dye absorption. Co-sensitization with metal-free dyes and N719 is a promising strategy for improving DSSC performance.

Enhanced photovoltaic performance of dye-sensitized solar cells using innovative bithienylnicotinonitrile-based organic dyes

This exciting study introduces five cutting-edge bithienylnicotinonitrile-based organic dyes (coded GA-1-5) that were specifically synthesized for use in dye-sensitized solar cells (DSSCs). These dyes boast a D-π-A framework and were designed to manipulate spectral properties and energy levels. The researchers conducted a comprehensive analysis of their optical, electrochemical, photovoltaic, geometrical, and electronic characteristics using both experimental and theoretical methods. The dyes exhibited intense UV–vis absorption with high molar extinction coefficients, making them ideal co-sensitizers for ruthenium-based DSSCs. When tested, the co-sensitized devices demonstrated significantly improved power conversion efficiencies (PCEs) ranging from 6.22% to 9.12%, thanks to their enhanced short-circuit photocurrents (Jsc), which surpassed those of DSSCs sensitized with N3 alone (PCE = 6.20%). Additionally, GA-1-5 compensated for the photocurrent loss caused by I−/I3 in co-sensitization, further improving the Jsc. We also carried out various spectral and electrochemical characterizations to gain a better understanding of the underlying mechanisms. These findings represent a significant advancement in the field of solar cell technology, paving the way for more efficient and sustainable energy solutions.

Exploring the impact of electron acceptor tuning in D-π-A′-π-A photosensitizers on the photovoltaic performance of acridine-based DSSCs: A DFT/TDDFT perspective

Nine novel organic molecules with D-π-A′-π-A motifs, designated as (Ac-T-Qs-T-CA) and (Ac-T-Bx-T-CA), were proposed as potential photosensitizers for use in dye-sensitized solar cells (DSSCs). These novel organic photosensitizers are comprised of an acridine electron donor (Ac) and a thiophene π-spacer (T), while the electron acceptor unit (A′) is either a substituted quinoxaline (Qs) or a benzo[2,5]diazole-1-heteroatom (Bx), and the anchoring group (A) is 2-cyanoacrylic acid (CA). The influence of electron acceptor (A′) moieties on the electronic, photophysical, thermodynamic and photovoltaic properties of the photosensitizers was analyzed using DFT and TD-DFT calculations. The MM3 force field and CONFLEX conformational search methods were employed to study all possible structural conformations of the photosensitizers. The goal was to identify the lowest energy conformer and gain a better understanding of how the structure conformation and torsional angles of (Ac-T-Qs-T-CA) and (Ac-T-Bx-T-CA) compared to the reference photosensitizer RK1 affect electron injection ability and overall performance of DSSCs. The thermodynamic analysis revealed that the photosensitizers (Ac-T-Q2,3-diOMe-T-CA) and (Ac-T-BtA-T-CA), which contain a 2,3-dimethoxyquinoxaline (Q2,3-diOMe) and a benzo[d][1,2,3]triazole (BtA) acceptor moieties, respectively, exhibit a noteworthy enhancement in their electron-injection free energy (ΔGinj) and a reduction in their recombination-free energy (ΔGrec) values, leading to an improvement in the overall photovoltaic properties of the solar cell when compared to the other photosensitizers. The photovoltaic characteristics of the photosensitizers showed that the photosensitizer (Ac-T-Q2,3-diOMe-T-CA) demonstrated the highest values of open-circuit photovoltage (Voc = 1.41 eV) and light harvesting efficiency (LHE = 0.80 eV) compared to the other (Ac-T-Qs-T-CA) photosensitizers. Similarly, (Ac-T-BtA-T-CA) photosensitizer demonstrated the highest Voc (1.08 eV) and LHE (0.75 eV) among (Ac-T-Bx-T-CA) photosensitizers. The photovoltaic performance of these new photosensitizers outperformed the reference RK1 photosensitizer, which only achieved a Voc of 1.2 eV and LHE of 0.61 eV. Finally, the electronic structures and optical properties of photosensitizers adsorbed on the TiO2 surface were studied to provide more accurate information about their adsorption on the semiconductor surface.

Syntheses, DFT studies and comparatively photovoltaic applications of some pyrene-imine hybrid derivatives

In this study, (E)-N-phenyl-1(pyren-1yl)methanimine (3) and a isomeric mixture of 5ZZ and 5EE (1,4-phenylenebis(1-(pyren-1-yl)methanimine) were synthesized by condensation of pyrene-1-carbaldehyde (1) with aniline (2) or benzene-1,4-diamine (4) The synthesized compounds were characterized using NMR, UV–vis, IR and HRMS spectroscopic techniques.Utilizing the density functional theory (DFT) and a basis set of B3LYP/6-311G(2d,2p), theoretical computations were done. The computed values were applied to simulated spectra of compounds 3 and the isomeric mixtures 5EE, and 5ZZ demonstrating good agreement with observed spectra. In various solvents, the UV–vis spectra of compounds 3, 5EE, and 5ZZ were recorded in areas 200–500 nm, and function density theory (DFT) and time-dependent density functional theory (TD-DFT) algorithms were used to determine if they can serve as metal-free organic dyes in the use of dye-sensitized solar cells (DSSCs). The charge separation distance (Δr) between an electron and the hole it corresponds to was investigated in addition to the degree of electron-hole overlap (Λ) because transition density matrices (TDM) give information about how each electron departs from its corresponding hole during excitations, resulting in charge transfer (CT). To obtain more insight into the characteristics of complexes, the Mulliken population approach, density of states (TDOS), natural population analysis (NPA), molecular electrostatic potential (MEP), condensed Fukui function, and relative nucleophilicity indices derived from orbital charge calculation results (NPA) were used. In addition, the photovoltaic properties of these compounds were studied comparatively. DFT band gap for 3 was 2.493, 5EE was 2.050, and 5ZZ was 2.071 eV. Furthermore, the power conversion efficiency (PCE) values for compound 3 and the isomeric mixture of compound 5 are calculated as 2.31%, and 2.82%, respectively. The results obtained can provide a useful reference for the development of organic compounds containing pyrene units in more efficient organic-based compounds for photovoltaic applications.

Study of electrospun nanofibers loaded with Ru(ii) phenanthroline complexes as a potential material for use in dye-sensitized solar cells (DSSCs)

Study of electrospun nanofibers loaded with Ru(ii) phenanthroline complexes as a potential material for use in dye-sensitized solar cells (DSSCs).

Push-pull photochromic dyes for semi-transparent solar cells with light-adjustable optical properties and high color-rendering index.

We report the design, synthesis and characterization of push-pull photochromic naphthopyran dyes, incorporating different carbazole moieties as the electron-donor group for use in dye-sensitized solar cells. Compared to a reference dye incorporating a diphenylamine-type donor moiety, the introduction of functionalized carbazoles allows for a hypsochromic shift of the absorption of the coloured isomers of the dyes in the visible region and a better tuning of their spectra to the photopic response of the human eye. Under illumination, the molecules exhibit a broad absorption with a maximum comprised between 546 nm and 571 nm in solution and they reveal relatively fast discoloration kinetics. By using these dyes to fabricate photochromic solar cells whose optical and photovoltaic properties vary with the light exposure, we have achieved a PCE of up to 3% in opaque cells. Using these molecules in semi-transparent solar cells with different electrolytes, a PCE of 2.3% was achieved. We also produced a semi-transparent mini-module with an average visible transmittance varying between 66% and 50% and a colour rendering index around 95 in both the uncoloured and coloured states.

Molecular design and synthesis of acetohydrazonoyl cyanide structures as efficient dye-sensitized solar cells with enhancement of the performance of the standard N-719 dye upon co-sensitization

Four novel acetohydrazonoyl cyanide compounds (5–8) with a triphenylamine moiety as an electron donor for use in dye-sensitized solar cells (DSSCs) have been designed and synthesized. The target molecules and their intermediates were well characterized using various spectral techniques. Their absorption spectra and electrochemical and photovoltaic properties are extensively investigated and compared with N-719 dye. The photovoltaic efficiency of these new dyes under AM1.5 ranges from 1.91% to 5.17% without the use of any additive. Compound 8 achieved the highest photovoltaic conversion efficiency (PCE, η = 5.17%) among the existing dyes due to the high values of the photocurrent (JSC = 13.66 mA cm−2) and photovoltage (VOC = 647 mV). Due to the good results shown by compound 8, the compound was used as a co-sensitizer along with the N-719 dye to improve its properties and raise its efficiency. The results showed that using (0.2 mM of compound 8 + 0.2 mM of N-719) improved the performance of the fabricated cell (PCE, η = 8.63%) with the enhancement in both VOC (682 mV) and JSC (20.39 mA cm−2) compared to the cell fabricated with N-719 alone (PCE, η = 6.23%, VOC = 623 mV, JSC = 16.48 mA cm−2). Furthermore, electronic excitations simulated using time-dependent DFT agreed well with experimentally obtained sensitizer results, indicating that the exchange-correlation function and basis set used to predict the spectra of the co-sensitizers are quite appropriate for the calculations. In conclusion, the results showed the potential of simple organic co-sensitizers in the development of efficient DSSCs.

DFT Studies of p-N,N-(Dimethylamino) Benzoic Acid with Para or Meta–Electron Withdrawing or Donating Moieties for Dye-Sensitized Solar Cells (DSSCs)

Solar energy is receiving considerable attention worldwide. Our contribution here focuses on fabricating p-N,N-(dimethylamino) benzoic acid (4-DMABA) donor-π-acceptor derivatives for use in dye-sensitized solar cells (DSSCs). The gas-phase and solvated 4-DMABA and some of its electron donating or withdrawing ortho or meta derivatives were studied theoretically. Density functional theory (DFT) and time-dependent DFT (TD-DFT) were applied to visualize their structural, molecular, photoelectrical, electronic, and photophysical parameters. The parameters for monitoring DSSC efficacies include HOMOs, LUMOs, energy gaps, wavelengths, oscillator strengths, light harvesting efficiencies (LHE), electron injection driving forces (ΔGinject), regeneration driving forces (ΔGregen), open circuit voltages (VOC), and short-circuit current densities (Jsc).