Sensitizers For Dye-sensitized Solar Cells Research Articles

Optimization, imaging and LHE analysis of magnesium oxide nanoparticles synthesized with carambola extract as natural dye sensitizer

This work explores the enhancement of dye-sensitized solar cells (DSSCs) by using magnesium oxide nanoparticles (MgO NPs) that have been green-synthesized, with carambola extract acting as a natural dye sensitizer. Green synthesis minimizes the negative effects of traditional synthesis methods on the environment by providing a sustainable and ecologically friendly way to produce MgO NPs. To increase their effectiveness in DSSC applications, the synthesized nanoparticles underwent optimization. The morphology and size distribution of MgO NPs were characterized by scanning electron microscopy (SEM), which revealed spherical forms with a consistent size distribution. The crystalline nature of the MgO NPs was verified by X-ray diffraction (XRD), which revealed distinctive peaks that correspond to the bulk MgO crystal planes. A band gap of 3.5 eV, appropriate for UV region absorption, was found using UV–visible spectroscopy. FT-IR (Fourier-transform infrared) spectroscopy revealed information about their molecular compositions. Positive electronic characteristics, such as a negative total energy change (ΔE_T) and a high electrophilicity index (ω), which indicates effective charge transfer, were found through computational analysis. The light harvesting efficiency (LHE) value of 0.00459 signifies optimal light absorption capability by the dye molecule. The outcomes show that MgO NPs that have undergone green synthesis have the potential to be efficient and stable sensitizers for DSSCs. In addition to highlighting the significance of green synthesis techniques in nanomaterial research for renewable energy applications, this work advances the development of efficient and sustainable solar energy systems.

Comparative study of natural dyes extracted from dark red and yellow Frangipani flowers (Plumeria rubra L.) as DSSC sensitizer

Dye-sensitized solar cells (DSSC) provide credible alternative for the inorganic solid-state photovoltaic devices. In this work, natural sensitizer extracted from Plumeria rubra L. flower (Frangipani) in ethanol has been used as the sensitizer dye. Dark red and yellow species of Frangipani flower petals extracted natural dyes have been studied for their comparative performance as sensitizer dye. FTIR revealed the presence of hydroxyl and carbonyl group in the sensitizer dye, which helped in binding with TiO2. UV-Visible analysis revealed absorption in visible region, which got broadened for dye loaded TiO2. Mass spectrometry confirmed major chemical constituents present in Plumeria rubra L. flower. For the HOMO and LUMO levels of dark red and yellow Frangipani flowers, the density functional theory (DFT) calculation was performed. Light-to-electricity conversion efficiency (ɳ%) of dark red Frangipani flowers was achieved 0.148 % with Voc 0.27 V, Jsc 0.88 mA/cm2 and FF 0.62, which was comparatively higher than yellow Frangipani flowers-based cell having ɳ% 0.128 % with Voc 0.54 V, Jsc 0.37 mA/cm2 and FF 0.64, respectively. For analyzing the charge transfer characteristics, electrochemical impedance spectroscopy (EIS) studies were carried out. The dark red species of Frangipani flower showed better result as sensitizer dye compared to the yellow species.

Dye-Sensitized Solar Cells Characterization of Kitolod Leaves (Hippobroma longifora)

Energy from fossil fuels is decreasing day by day and also causes many environmental problems. In the current era, many environmentally friendly renewable energy sources have been developed, such as the development of DSSC (Dye Sensitized Solar Cells). DSSC is a technology that utilizes colored materials sourced from nature which are used as absorbers of sunlight energy to be converted into electrical energy. In this research, the synthesis and characterization of organic material from kitolod leaves as DSSC will be carried out. Kitolod leaves (Hippobroma longifora) are wild plants that usually grow in home gardens and rice fields. Kitolod leaves which have chlorophyll can support the absorption of sunlight if applied as a sensitizer in DSSC. The methods that will be used in this research are making TiO2 paste, dye solution preparation, electrolyte solution preparation, DSSC fabrication, testing and characterization. The tests that will be carried out are testing the TiO2 layer, dye absorption, and electric current. Meanwhile, the characterization that will be carried out is dye absorption using UV-Vis, and electric current using a potentiometer. From the results of light absorption shows that when the wavelength is 500 nm or the green light spectrum, the maximum light absorption by the chlorophyll of kitolod leaves is 1.78 (a.u.). The maximum voltage (Vm) and maximum current (Im) in daylight lamps have greater values ​​compared to warm white lamps. The highest efficiency of the solar light source is shown when the air mass is 1.5 (08.30-08.40). The time of DSSC immersion in dye also influences the resulting of Vm and Im values ​​which can be shown in that the Vm and Im values ​​of DSSC 2 (30 minutes) are greater than those of DSSC 1 (10 minutes). The results of open circuit voltage (Voc) and the short circuit current (Isc) in this research still need to be improved to produce better efficiency.

Molecular Design and DFT Analysis of High-performance Dyes Based on Pyrene with Different Donor Parts and Their Optoelectronic Applications.

The performance and efficacy of dyes, which are crucial photon-harvesting components in dye-sensitized solar cells (DSSCs), must be meticulously analysed at the molecular level. This research focuses on a theoretical investigation of dye characteristics rather than the synthesis of novel compounds. Using Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT), we have analysed six D-π-A structure dyes designed with pyrene as the π-bridge and various functional groups as donors. Our study examines their geometrical, electronic, optical, electronic localization, and electrochemical properties. The findings reveal that these theoretically designed D-π-A dyes show significant improvements in light-harvesting efficiency, open-circuit photovoltage, electron injection efficiency, and overall photovoltaic performance. The analysis indicates effective electron injection from each dye into the conduction band of TiO2, followed by efficient regeneration and enhanced intra- and intermolecular charge transfer properties. The incorporation of pyrene as a π-bridge and the use of different functional groups as donors are crucial for facilitating electron transfer from the donor to the acceptor region. Among the dyes studied, the D-π-D modified dye demonstrates superior theoretical performance, attributed to its higher energy levels of the lowest unoccupied molecular orbital and greater oscillator strengths for excited states. This results in improved intramolecular electron transfer and electron injection into the conduction band of TiO2, followed by effective regeneration. Overall, our study highlights the potential of these theoretically modeled dyes as highly promising sensitizers for DSSCs, due to their exceptional optical and electronic properties and impressive photovoltaic parameters. These findings position these molecular structures as strong candidates for future applications in organic DSSCs.

Optimal extraction, phytochemical and electrochemical potential assessment of pigments from Persicaria Lapathifolia for dye-sensitized solar cell application

In this study, we concentrated on optimal extraction, phytochemical, and electrochemical assessment of natural pigments from the roots and flowers of Persicaria lapathifolia as new sensitizers in dye-sensitized solar cells. The extraction technique required optimizing the use of acidified ethanol with acetic acid and hydrochloric acid as flower and root extractants, respectively. Photo-electrochemical tests revealed that these pigments could improve the efficiency of DSSCS. The optical characterization revealed maximal absorbance peaks at 462 and 654 nm for root dye and 535, 606 and 666 nm for blossom dye. Phytochemical examination revealed the presence of anthocyanins flavonoids glycoside linkage and betacyanin in both extracts. The Cyclic voltammetry tests revealed oxidation potential peaks in root and floral dyes the HOMO and LUMO potentials were calculated for both dyes, revealing values that could help improve DSSC performance. The DSSCS sensitized with flower extract had an open circuit voltage of 0.649 V a brief current pulse of 3.8 mA and an efficiency of 1.6335%. On the other hand root, pigment-based DSSCS performed slightly inferior with a Voc of 0.55 V an Isc of 3.7 mA, and an efficiency of 1.33%. These findings point to the potential of Persicaria lapathifolia pigments to boost DSSC efficiency emphasizing the relevance of sustainable energy sources. More research and optimization are required to realize the potential of these natural pigments for DSSC applications. This study adds to the investigation of green energy options, notably rooftop photovoltaic systems, in response to an increasing desire for ecologically sound energy solutions.

Theoretical exploration of novel alkannin derived D-π-A conjugated organic dyes as efficient sensitizer in dye-sensitized solar cells

The advancement of cost-effective, highly efficient sensitizers plays a crucial role in the progress of dye-sensitized solar cells (DSSCs). Employing density functional theory (DFT) and time-dependent density functional theory (TD-DFT), a range of metal-free organic dyes with D - π - A configuration, featuring different donor and acceptor groups, have been investigated to enhance the effectiveness of sensitizer dyes. We developed metal-free organic dyes (Ak1-Ak6) with a D - π - A structure through structural modifications of alkannin reference dye. Calculations were conducted to assess the electronic and optical properties, along with key parameters such as short-circuit current density (Jsc) and open-circuit voltage (Voc), including light-harvesting efficiency (LHE), electronic injection-free energy (ΔG inject), and regeneration driving forces (ΔG reg) of the designed dyes. The outcomes of this study offer valuable insights for the design of highefficiency DSSCs.

Effect of electron-donating and -withdrawing substitutions in naphthoquinone sensitizers: The structure engineering of dyes for DSSCs in Quantum Chemical Study

Dye-sensitized solar cells (DSSCs) are cost-effective photovoltaic devices that convert solar energy into electricity using a dye sensitizer, TiO2 photoanode, electrolyte, and counter electrode. This study investigates the impact of substituents on the performance of naphthoquinone-based dye sensitizers in DSSCs. We analyzed various naphthoquinone derivatives’ electronic structures and light absorption properties using DFT and TD-DFT. Our results demonstrate that electron-donating groups enhance DSSC performance by improving light absorption and electron injection. Specifically, naphthoquinone derivatives with methoxy (Dye-2) and methyl (Dye-3) groups showed superior properties. TD-DFT analysis revealed high molar extinction coefficients over a broad spectrum, making these dyes efficient at capturing sunlight. Additionally, these dyes effectively interact with TiO2, which is crucial for photostability and photovoltaic performance. In conclusion, naphthoquinone derivatives with electron-donating groups significantly improve DSSC performance, with Dye-2 and Dye-3 being strong candidates for high-performance applications.

Metal-free phenothiazine dyes with alkoxy chains modified at different position for dye-sensitized solar cells

Long alkyloxy or alkoxyphenyl chains are commonly introduced to organic dye sensitizers in dye-sensitized solar cells (DSSCs) to inhibit the aggregation of sensitizer on the TiO2, thereby minimizing charge recombination. Here, we synthesized four D-D-π-A sensitizers (TP-C6, TP-PhOC6, C6O-TP-C6, C6O-TP-PhOC6), that feature alkyl-/alkoxyphenyl- moiety in phenothiazine (PTZ) donor’s N-position, and either alkoxy or no alkoxy groups in triphenylamine (TPA) auxiliary donor. Then, their photophysical, electrochemical and DSSCs properties were investigated. The UV-Vis and electrochemical studies revealed that all four dyes exhibited good light absorption ability and appropriate HOMO-LUMO energy levels. The introduction of alkoxy at the donor or auxiliary donor can result in a significant redshift in absorption. Among them, TP-PhOC6, which incorporates an alkoxy phenyl group at the N-position of PTZ and lacks alkoxy in TPA, induces a greater redshift in ICT absorption with strong absorption intensity. Additionally, in TP-PhOC6 based DSSC, mitigated charge recombination was observed. As a result, this device exhibited the strongest and widest IPCE spectrum, the highest Jsc (12.77 mA/cm²) and Voc (0.85 V), leading to the highest PCE (6.59 %).

Enhancing the performance of pyridyl carboxamide-N,N-dimethyl amino chalcone (PCC) as a dye sensitizer for dye-sensitized solar cells (DSSCs) through the incorporation of electron donor moieties

This study has focused on enhancing the performance of pyridyl carboxamide-N,N-dimethyl amino chalcone (PCC) as a sensitizer for dye-sensitized solar cells (DSSCs) by strategically incorporating electron donor moieties identified in a literature review. Our reviewing the previous reports highlights the pivotal role of electron donors in optimizing light harvesting, electron injection, and overall power conversion efficiency in organic dye sensitizers, particularly those following a donor-bridge-acceptor (D-π-A) architecture. The selected donor moieties, including dithieno[3,2-b:2′,3′-d]thiophene (DTT), benzodithiophene (BDT), triphenylamine (TPA), carbazole (CBZ), and triazatruxene (TAZ), are systematically introduced into the molecular structure of PCC (abbreviated as PCC-DTT, PCC-BDT, PCC-TPA, PCC-CBZ, and PCC-TAZ, respectively). The performance of these modified compounds is rigorously evaluated using density functional theory (DFT) methods. Validation results revealed that the most reliable method for PCC derivative characterization involved the combination of the functional B3PW91 with a 6-31G(d) basis set. The results indicate that the incorporation of certain donor moieties, particularly BDT, significantly enhances the electronic and optical properties of PCC, including lower HOMO energy levels, a narrow energy gap (Egap), enhanced absorption intensity, and a redshift in absorption peaks. Evaluation of photovoltaic properties including electron injection (ΔGinj), and open circuit voltage (Voc), indicated facilitating spontaneous electron injection from the dyes to the TiO2 conduction band. Notably, PCC-TAZ demonstrated the lowest electron regeneration (ΔGreg), suggesting a notable potential for efficient electron regeneration.

Theoretical study on the efficiency of new organic dyes based on (E)-2-(2-(thiophen-3-yl)vinyl)-1,1′-bipyrrole as dye-sensitized solar cell sensitizers

Dye-sensitized solar cells (DSSCs) have gained critical importance as a leading emerging photovoltaic technology for low-cost power generation due to their simple production, light weight, applicability to the development of flexible photovoltaic devices, and use of abundant and inexpensive materials, including advantageous metal-free organic dyes. In this context, as a continuation of our work on DSSCs, a theoretical examination using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) was conducted to evaluate the photovoltaic performance of eight new organic dyes. Each dye contains an electron donor group ((E)-2-(2-(thiophen-3-yl)vinyl)-1,1′-bipyrrole), an electron acceptor group (cyanoacrylic acid (CCA)), and four auxiliary donor/acceptor groups, i.e., 3,4-ethylenedioxythiophene (EDOT), furan/benzothiadiazole (BTZ), diketopyrrolopyrrole (DPP) linked to π-conjugated bridges such as styrene or thiophene. We calculated several parameters for each dye, including EHOMO, ELUMO, Egap, λmax, Eex, pen-circuit photovoltage (VOC), light harvesting efficiency (LHE), regeneration driving force (ΔGreg), electron injection driving force (ΔGinject), and excitation lifetime (τ) to determine the photovoltaic efficiency of each dye. The results showed that the new dyes exhibited good performance and remarkable energy-conversion efficiencies. Additionally, all investigated dyes posed as promising candidates for the generation of effective DSSC sensitizers, particularly M6, which contained a styrene-linked EDOT auxiliary donor group.

Exploring the Role of Central Metals in Bulky Phthalocyanines for Dye-Sensitized Solar Cells.

Two series of metallo-(Zn(II), Mg(II), and Ru(II)) and free-base phthalocyanines (Pcs) with a carboxyl anchoring group and well-established bulky peripheral substituents (either tert-butyl or bulky 2,6-diisopropylphenoxy) were synthesized and tested as sensitizers in dye-sensitized solar cells (DSSCs). The trend of photovoltaic efficiencies (PCEs) for free-base and metallo Pcs followed the order Zn(II)Pc>Mg(II)Pc≫H2Pc ≈ Ru(II)Pc regardless of the peripheral substitution. Higher efficiencies (4.95 versus 3.63 for the Zn(II) derivatives) were achieved with Pcs bearing the bulkier 2,6-diisopropylphenoxy group, indicating a lower aggregation and more suitable HOMO-LUMO levels. Furthermore, these derivatives showed a morelevant influence of the metal on the PCE values (from the highest 4.95 for the Zn(II)Pc to the lowest 0.23 for the Ru(II)Pc. In both series, the best PCEs observed with the Zn(II) derivatives were mainly due to their highest Jsc values. The lowest efficiencies found for the free-bases and Ru(II) derivatives were attributed to a mismatch between their LUMO levels and the conduction band of the TiO2,and lower light-harvesting capabilities, respectively. In conclusion, Zn(II) derivatives are still the best Pc candidates to use as sensitizers in molecular photovoltaics.

Simple phenothiazine-based sensitizers for dye-sensitized solar cells: Impact of different electron-donors on their photovoltaic performances

Simple phenothiazine-based sensitizers for dye-sensitized solar cells: Impact of different electron-donors on their photovoltaic performances

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.

Fifty Shades of Phenanthroline: Synthesis Strategies to Functionalize 1,10-Phenanthroline in All Positions.

1,10-Phenanthroline (phen) is one of the most popular ligands ever used in coordination chemistry due to its strong affinity for a wide range of metals with various oxidation states. Its polyaromatic structure provides robustness and rigidity, leading to intriguing features in numerous fields (luminescent coordination scaffolds, catalysis, supramolecular chemistry, sensors, theranostics, etc.). Importantly, phen offers eight distinct positions for functional groups to be attached, showcasing remarkable versatility for such a simple ligand. As a result, phen has become a landmark molecule for coordination chemists, serving as a must-use ligand and a versatile platform for designing polyfunctional arrays. The extensive use of substituted phenanthroline ligands with different metal ions has resulted in a diverse array of complexes tailored for numerous applications. For instance, these complexes have been utilized as sensitizers in dye-sensitized solar cells, as luminescent probes modified with antibodies for biomaterials, and in the creation of elegant supramolecular architectures like rotaxanes and catenanes, exemplified by Sauvage's Nobel Prize-winning work in 2016. In summary, phen has found applications in almost every facet of chemistry. An intriguing aspect of phen is the specific reactivity of each pair of carbon atoms ([2,9], [3,8], [4,7], and [5,6]), enabling the functionalization of each pair with different groups and leading to polyfunctional arrays. Furthermore, it is possible to differentiate each position in these pairs, resulting in non-symmetrical systems with tremendous versatility. In this Review, the authors aim to compile and categorize existing synthetic strategies for the stepwise polyfunctionalization of phen in various positions. This comprehensive toolbox will aid coordination chemists in designing virtually any polyfunctional ligand. The survey will encompass seminal work from the 1950s to the present day. The scope of the Review will be limited to 1,10-phenanthroline, excluding ligands with more intracyclic heteroatoms or fused aromatic cycles. Overall, the primary goal of this Review is to highlight both old and recent synthetic strategies that find applicability in the mentioned applications. By doing so, the authors hope to establish a first reference for phenanthroline synthesis, covering all possible positions on the backbone, and hope to inspire all concerned chemists to devise new strategies that have not yet been explored.

Comparative study of natural and synthetic dyes in DSSCs: An experimental and computational approach

This study explores the natural and synthetic dyes as sensitizers for dye-sensitized solar cells (DSSCs). Anthocyanin dye extract (PG) from pomegranate (Punica granatum) fruit, betanin pigment (BR) from beetroot (Beta vulgaris), and the commercially available organic dye, Rose Bengal (RB), were investigated as sensitizers for DSSCs and their photovoltaic performances were recorded. Density functional theory (DFT) and time-dependent DFT (TD-DFT) studies have also been performed in order to get insight into the photophysical and photoelectrochemical properties. The overall efficiencies (η) of 0.34%, 0.30%, and 0.25% were obtained for the PG, BR, and RB dyes under 1 sun illumination, respectively. The results infer that PG dye would act as a promising photo-sensitizer for DSSCs as compared to BR and RB sensitizers, which may be due to better interaction between anthocyanin molecule of pomegranate extract and TiO2.

Poly(triphenylamine-thiazolo[5,4-d]thiazole) copolymer dyes with different anchoring end groups: Synthesis, dye-sensitized solar cell (DSSC) performance and femtosecond excited state absorption spectroscopy

In this study, the poly(triphenylaminethiazolo[5,4-d]thiazole) copolymer dyes having the different anchoring end groups of aldehyde (poly-TPATT-CHO; P5), sulfonic acid (poly-TPATT-SO3H; P5S) and cyanoacrylic acid (poly-TPATT-COOH; P5C) have been synthesized and used as sensitizers in dye-sensitized solar cells (DSSCs). The effects of the anchoring end groups of the P5, P5S and P5C copolymer dyes on the DSSC performance were examined. The synthesized copolymer dyes were characterized using 1H NMR, UV–vis. absorption and fluorescence (FL) emission spectroscopy, cyclic voltammetry (CV), MALDI-TOF-MS and FE-SEM-EDS methods. Among the studied polymers, the P5C polymer dye exhibited the best photovoltaic performance with a JSC of 6.46 mA cm−2, a VOC of 0.667 V, a FF of 0.70, and an overall power conversion efficiency (PCE) of 3.02 % under standard AM 1.5 G solar light conditions. These results are attributed to the strong binding ability of cyanoacrylic acid to the TiO2, leading to a greater photocurrent and hindered charge recombination. The effect of electron transfer mechanisms of the polymers on the DSSC performance have been investigated using the femtosecond transient absorption (fs TA) spectroscopy. The DSSC performance of the poly(triphenylaminethiazolo[5,4-d]thiazole) increased greatly by the presence of the cyanoacrylic acid anchoring end group in P5C polymer dye. The fs TA spectroscopy results revealed the presence of singlet–triplet transition for the P5C copolymer dye, while the P5 and P5S copolymers showed only singlet–singlet transitions. The observed triplet state transition in the P5C polymer increased the yield of the DSSC system.

Natural extracts from Rhus microphylla and Opuntia joconostle as mono and co-sensitizers for efficiency enhancement of nano-TiO2 based dye-sensitized solar cells

In this work, six plants are presented to obtain different molecules with distinct properties to be used in dye-sensitized solar cells (DSSC). Cells have been assembled using Opuntia joconostle (xoconostle), Rhus microphylla (limilla), Tagetes erecta (marigold flower), Euphorbia pulcherrima (poinsettia flower), Bougainvillea spectabilis (bougainvillea) and Camellia sinensis (green tea) as individual and mixed pigments. In the case of xoconostle and limilla this is the first time that their extracts have been used as sensitizers in DSSC. Having these natural dyes, the co-sensitization technique was adopted to improve the photovoltaic performance of the solar cells. The best performance with the individual extracts was from the poinsettia flower having a conversion efficiency of 0.0022 % with Voc of 0.29 V, Jsc of 0.014 mA/cm2 and FF of 48.56, in the case of co-pigmentation, the best mixture was poinsettia flower with xoconostle and green tea (NXT) having a conversion efficiency of 0.0044 % with Voc of 0.34 V, Jsc of 0.035 mA/cm2 and FF of 44.50, using irradiation of 1000 W/m2 at 25°C. The purpose of mixed dyes is to absorb a wider interval of the electromagnetic spectra. Computational calculations based on the Density Functional Theory were used to calculate each molecule’s HOMO and LUMO levels.

Use of new natural dyes extracted from different sections of Salvia urica in dye-sensitized solar cells

In this study, natural dyes that were obtained from the branches, flowers and leaves of Salvia urica were utilized as sensitizers in TiO2-based dye-sensitized solar cells (DSSCs). XRD and FE-SEM were used to analyze the crystal structure and morphological properties of the produced TiO2 nanopowders, respectively. The optical properties of natural dyes extracted from the Salvia urica plant were investigated by UV-vis spectroscopy. Functional groups in natural dyes were detected by FTIR spectroscopy, while DSSCs were evaluated for photovoltaic performance and electrochemical impedance. The findings show that the flower dye absorbs a wider wavelength of light in the visible region and the interaction between the carbonyl/hydroxyl groups and the TiO2 surface is very strong, which is why it is the most efficient way of power conversion among all other natural sensitizers. The efficiencies of DSSCs sensitized with flower, branch and leaf dye of Salvia urica were 0.33%, 0.28%, and 0.19%, respectively.

The Effect of Position of Cyano-3-Acetic Acid Electron Withdrawing Group on γ-Mangostin as a Sensitizer on Dye-Sensitized Solar Cells (DSSC): Theoretical Study

Computational research on the influence of the electron acceptor group position of cyano-3-acetic acid on γ-mangostin as a sensitizer in Dye-Sensitized Solar Cell (DSSC) has been carried out with variations in the positions of the atoms O-1, O-2, O-3 and O- 4. The photoelectric properties are known from the HOMO-LUMO energy parameters, UV-Vis absorption, |VRP|, ΔGinject, ΔGreg, τ, LHE and FEDAM. Geometry optimization uses Orca 4.2.1 with a 6-31G* basis set and interpretation uses Avogadro, Chemissian and GaussSum. Ground state optimization uses the DFT-B3LYP method and excited state optimization uses the TD-DFT-B3LYP method. The results showed that the difference in photoelectric properties affected the DSSC performance. O-2 has the best parameters for electron scattering and UV-Vis light with an absorption of 426 nm. O-3 has the best value for excited state lifetime (τ) and coupling constant (|VRP|). O-3 has a weakness in the LHE value. The LHE value for compounds without modification has the best value. Based on the qualitative parameters of the Full-Electron Donor-Acceptor Map (FEDAM) it was found that the ability of cyano-3-acetic acid as an electron acceptor is better at O-2.

Biodiesel production from the Scenedesmus sp. and utilization of pigment from de-oiled biomass as sensitizer in the dye-sensitized solar cell (DSSC) for performance enhancement

Dye-sensitized solar cell (DSSC) using algal photosynthetic pigments has got rampant attention as it converts sunlight into electricity. Therefore, in this present research, the neutral lipid extracted from the green alga Scenedesmus sp. was used for biodiesel production, and concurrently, pigments extracted from the de-oiled biomass cake were used as a sensitizer in DSSC to evaluate its performance efficacy with and without PVDF (Polyvinylidene fluoride). Initially, neutral lipids extracted from the Scenedesmus sp. were converted to biodiesel with a yield of 72.9%, and the de-oiled biomass was subjected to pigment extraction (17.65 mg/g) to use as a sensitizer in DSSC. This study proposes two DSSC test models, i.e., PVDF (Polyvinylidene fluoride) - bound cell and cell without any PVDF binder. For the PVDF-coated DSSC, the average energy conversion efficiency reached about 14.3%, the open circuit voltage was 0.55 V, and the short circuit current was 144.5 mA. The unbound cells showed a reduction in efficiency, voltage, and current, and notably, efficiency of 10.44% on day 1 was decreased to 3.32%, and the open circuit voltage and short circuit current of 0.38V and 144 mA were decreased to 0.24V and 130 mA after 10 days, under 40 mW/cm2 input power. The PVDF-coated solar cell has maintained its efficiency range of 16.32%–11.22%, which is higher than the PVDF-unbound cell for a tested timeline of 30 days. The fill factor of 0.47 was observed in PVDF- unbound DSSC under 40 mW/cm2 as input power, while it was increased to 0.577 when PVDF was used as a binder. The PVDF-coated cell has low degradation compared with the PVDF-uncoated cell. These results offer dual benefits as the production of biodiesel from microalgal lipids and electricity generation from the DSSC using the pigments of biodiesel-extracted algal biomass.