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- 2019
- Dye-sensitized solar cell
- Photoelectrode
- Light scattering layer
- Transmittance
- White pigment (R902+)
- Rutile titanium dioxide
- Optoelectronic Information Materials and Devices
- Tribhuvan University
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Computational design of new organic (Da????a??A) dyes based on benzothiadiazole for photovoltaic applications, especially dye-sensitized solar cells
摘要： A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a donor–π–acceptor structure (D–π–(D–A–)–A) using DFT/DFT (TD-DFT)/6-31G(d,p) having a difference of π spacer was designed. The theoretical study of the structural, electronic and optical properties of these dyes (D1, D4) suggests that these materials would be excellent sensitizers as a candidate for the production of dye solar cells, due to the efficient photoinduced electron transfer and strong absorption as well as the electronic properties (HOMO, LUMO, Egap) low band gap, The improved light-harvesting efficiency and free energy change of electron injection (ΔGinject), of new designed sensitizers revealed that these materials would be excellent sensitizers. This theoretical designing paves the way for experimentalists to synthesize more efficient sensitizers for solar cells.
关键词： DFT,Dye-sensitized solar cells,Organic dyes,Photovoltaic organic
更新于2025-09-23 15:21:01
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A Noble-Metal-Free Heterogeneous Photosensitizer-Relay-Catalyst Triad Catalyzes Water Oxidation under Visible Light
摘要： An entirely earth abundant chromophore-relay-water oxidation catalyst triad system, which is robust and efficient at neutral pH, is presented. The synthesis involves the coordination of a porphyrin derivative to a bridging Fe(CN)5 group, which is then reacted with Co ions to prepare a covalently linked chromophore-Prussian blue analogue assembly. Light driven water oxidation studies in the presence of an electron scavenger indicate that the triad is active and it maintains a steady activity for at least 3 hours. Transient absorption experiments and computational studies reveal that the Fe(CN)5 group is more than a linker as it takes part in electron-transfer and co-operates with porphyrin in the charge separation process.
关键词： water splitting,triad,dye-sensitized,water oxidation,Prussian blue,porphyrin
更新于2025-09-23 15:21:01
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Multi-cycle Growth of Boron Doped ZnO Films as Photoanode for Dye-Sensitized Solar Cell (DSSC)
摘要： The work is concerned with the fabrication of dye sensitized solar cell (DSSC) utilizing multi-layer boron doped ZnO nanorods films. The B-doped ZnO films were prepared on FTO glass substrate via seed mediated hydrothermal method. Multi-layer B-doped ZnO nanorods were obtained by immersing the sample into a growth solution and repeated the growth process at 90 oC for 30 minutes. The structure of the B-doped ZnO film has been found to exhibit the hexagonal wurtzite structure. The length and diameter of the nanorods increase with the number of the growth cycle. The performance of the DSSC fabricated using the multi-layer B-doped ZnO nanorod was found to be significantly higher than that of the DSSC based on the single layer ZnO nanorod arrays. The best photovoltaic parameters with the JSC of 3.5 mA cm-2, FF of 0.38 and η of 0.67%, respectively was obtained for the device utilizing the layer with 3 cycles since it possesses the lowest photoluminescence in visible region and lowest Rct.
关键词： nanorod,boron,dye-sensitized solar cell,ZnO,hydrothermal
更新于2025-09-23 15:21:01
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300??keV cobalt ions irradiations effect on the structural, morphological, optical and photovolatic properties of Zn doped TiO2 thin films based dye sensitized solar cells
摘要： Dye Sensitized Solar Cell (DSSC) is a potential too to convert solar energy into electrical energy due to its low cost, ease in synthesis and higher photo electron conversion e?ciency (PEC) in contrast with conventional silicon solar cell. The photo-electrode of DSSC is a key component which is responsible for collection and transportation of electrons through the circuit. Sol-gel route was adopted to manufacture photo anodes of 1% Zinc doped titanium dioxide (Zn–TiO2) where FTO glass was used as substrate. These photo anodes were irradiated by 300 keV Cobalt (Co) ions with di?erent ?uence rates as 2 × 104 atomscm-2s-1 and 4 × 104 atoms cm-2s-1. We investigated the anatase phase of TiO2 using the Raman spectra which also showed that Zn and Co are completely doped in TiO2. UV–visible spectroscopy showed that band gap of ?lms was decreased by doping and ions implantation. Maximum reduction in band gap is observed at the ?uence rate of 4 × 104 atoms cm-2s-1 i.e. 2.77 eV. SEM micrographs showed that the ?lm irradiated with Co ions with ?uence rate of 2 × 104 atoms cm-2s-1 have maximum porosity which supports the maximum dye loading on the surface due to which the e?ciency of DSSC is enhanced. In all cells, N719 dye is used as sensitizer. The solar simulator results indicated the higher e?ciency up to 3.78% is achieved by 300 keV cobalt ions irradiation with ?uence rate of 2 × 104 atoms cm-2s-1. The present work shows that the appropriate percentage of Co ions in Zn–TiO2 layer plays a signi?cant role to escalate the e?ectiveness of DSSC.
关键词： Dye sensitized solar cells,Ions implantation,TiO2,Co,Zn
更新于2025-09-23 15:21:01
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An all-solid-state lamellar-nanostructured polymer electrolyte in-situ-prepared from smectic liquid crystal for thermally stable dye-sensitized solar cells
摘要： A novel all-solid-state polymer electrolyte based on thiolate/disulfide redox couple was in-situ prepared from a lamellar-assembled liquid crystal precursor for dye-sensitized solar cells (DSSCs). The use of the thiolate/disulfide redox couple allowed the in-situ polymerization, which ensured both preservation of the lamellar nanostructure in electrolyte and sufficient interfacial contact in DSSC. Electrochemical analysis revealed that the lamellar-nanostructured electrolyte possessed charge transport ability and photovoltaic performance quite close to the liquid crystal electrolyte precursor. The resultant all-solid-state DSSCs showed a thermally stable photovoltaic performance with PCE higher than 2% from 35 to 90 °C. The method in using in-situ polymerization of nanostructured liquid crystals to prepare solid-state electrolytes shed a new light for efficient and stable all-solid-state DSSC preparation, especially in large-scale actual application.
关键词： All-solid-state polymer electrolyte,In-situ preparation,Smectic liquid crystal,Dye-sensitized solar cell
更新于2025-09-23 15:21:01
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POM-based dyes featured rigidified bithiophene ?? linkers: Potential high-efficient dyes for dye-sensitized solar cells
摘要： A series of POM-based dyes with triphenylamine electron donor group, cyanoacrylic acid electron acceptor group and different π linkers of thiophene derivatives are systematically investigated to analyze the influence of rigidified bithiophene with fastening atoms (C and N) on the performance of dye-sensitized solar cells (DSSCs) based on density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The interfacial electron transfer (IET) processes are evaluated, which is less investigated previously. We can see that the electron in dyes 2, 4 and 5 are almost completely injected after 100 fs, thus leading to the fast IET. Dye 2 not only has lower interaction energy for most stable dimer configuration than dye 1, but also has larger short-circuit photocurrent density JSC and open-circuit photovoltage VOC, resulting from the insertion of POM group. Compared with dye 3 containing 2,2'-bithiophene π linker, its two counterparts (dyes 4 and 5) with rigidified bithiophene π linkers tend to accelerate IET process as well as retard the electron recombination, thus improve the performance of DSSCs. In particular, dye 4 with rigidified bithiophene π linker fastening by C atom would obtain the larger JSC and VOC than that of dye 5 with N atom rigidified bithiophene π linker.
关键词： rigidified bithiophene,POM-based dyes,interfacial electron transfer,dye-sensitized solar cells,density functional theory
更新于2025-09-23 15:21:01
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The influence of bilateral environment of dyed-TiO2/electrolyte interface on detailed recombination process during the a??maturea?? period of sensitized solar cell
摘要： The complete dye-sensitized solar cell (DSC) life cycle includes three stages: “mature” period, stability period and degradation period. However, during the DSC performance adjustment period, considering the in?uence of both sides of the dyed-TiO2/electrolyte interface on the electron recombination process is still blank. In this paper, the effects of the environment on both sides of the interface between TiO2 and electrolyte during the DSC performance adjustment on the electron recombination process are studied. The results show that the performance adjustment of DSC is greatly in?uenced by the chemical environment of electrolyte. The ?lm microstructures have a certain in?uence on the electron recombination process during the performance adjustment. During the performance adjustment period of DSC, the adjustment of quasi-Fermi level is more complicated under the condition of weak light than under the condition of strong light. The results of this paper are signi?cant for studying complex systems of DSC, understanding the device working mechanism and improving the cell ef?ciency.
关键词： Performance adjustment period,Electron recombination,TiO2 ?lm,Dye-sensitized solar cell,Electrolyte
更新于2025-09-23 15:21:01
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Theoretical Investigation of Azobenzene-Based Photochromic Dyes for Dye-Sensitized Solar Cells
摘要： Two donor-π-spacer-acceptor (D-π-A) organic dyes were designed as photochromic dyes with the same π-spacer and acceptor but di?erent donors, based on their electron-donating strength. Various structural, electronic, and optical properties, chemical reactivity parameters, and certain crucial factors that a?ect short-circuit current density (Jsc) and open circuit voltage (Voc) were investigated computationally using density functional theory and time-dependent density functional theory. The trans-cis isomerization of these azobenzene-based dyes and its e?ect on their properties was studied in detail. Furthermore, the dye-(TiO2)9 anatase nanoparticle system was simulated to understand the electronic structure of the interface. Based on the results, we justi?ed how the trans-cis isomerization and di?erent donor groups in?uence the physical properties as well as the photovoltaic performance of the resultant dye-sensitized solar cells (DSSCs). These theoretical calculations can be used for the rapid screening of promising dyes and their optimization for photochromic DSSCs.
关键词： azobenzene,dye-sensitized solar cells,density functional theory
更新于2025-09-23 15:21:01
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Exploring Lewis-Base Effects to Improve the Efficiency of [Co(bpy)3]2+/3+-Mediated Dye-Sensitized Solar Cells
摘要： The state-of-the-art cobalt(II/III) tris(bipyridyl) redox shuttles open a chapter for pursuing highly efficient dye-sensitized solar cells (DSSCs). Previous work has demonstrated that light exposure of the Co(III) along with the Lewis base additive, tert-butylpyridine (TBP) effectively improves the solar cell efficiency. With this as platform, a new Lewis base—tert-butylpyridine N-oxide (TBP-O) is introduced as an electrolyte co-additive instead of TBP alone. The resulting D35-sensitized solar cells exhibit an efficiency of 6.6% at full solar illumination, which further increases to 8.1% by exposing the new electrolyte mixture to the light and thus outperforms typical Li+-containing DSSCs. A mechanism with regard to the interactions between Co(III) and Lewis base additives supported by electrochemical and spectroscopic studies, is suggested to explain the performance improvement. The study illustrates negative effects of TBP on the charge- and mass-transfer kinetics at the electrode/electrolyte interface and reveals that the effects are eliminated by a light-induced reaction between Co(III) and TBP-O.
关键词： performance improvement,light exposure,dye-sensitized solar cells,Lewis base effects,cobalt electrolyte
更新于2025-09-23 15:21:01
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Preparation of NiO/TiO2 Composite Films for Enhanced Dye Sensitized Solar Cell Efficiency
摘要： Spray pyrolysis technique has been applied for preparing many kinds of thin films because this technique offers a lot of advantages, such as inexpensive cost, uncomplicated process and large scale production. Therefore, the spray pyrolysis technique is used for making pure TiO2 and NiO/TiO2 composite films in this report. A NiO/TiO2 composite film is getting attention to be used as a compact layer in dye sensitized solar cell (DSSC) because NiO can be used as a hole collector and a barrier for energy recombination properties. Moreover, the NiO/TiO2 composite film exhibits superhydrophilic properties that can increase absorption efficiency for a dye solution. This study has an objective to improve the efficiency of DSSC by changing the ratio of NiO/TiO2 in the composite films. The pure TiO2 and NiO/TiO2 composite films were prepared at 200℃ by spray pyrolysis technique using a Ti(OCH(CH3)2)4 solution and a mixture of Ti(OCH(CH3)2)4 solution with Ni(NO3)2?6H2O powder, respectively. The effect of the ratio between Ni(NO3)2?6H2O powder and Ti(OCH(CH3)2)4 solution (0.5 atm%, 1 atm%, 2 atm%, and 4 atm% of Ni(NO3)2?6H2O) on the efficiency of DSSCs were studied. The surface morphology, crystal structure and optical properties of TiO2 and NiO/TiO2 composite films on FTO and glass substrates were characterized by using field-emission scanning electron microscope (FE-SEM), X-ray diffractometer (XRD), and UV-VIS spectrophotometer, respectively. The FE – SEM images showed that the films were smooth surface and dense when prepared at 200 ℃. The XRD results of TiO2 and NiO/TiO2 composite films on the FTO substrates showed that the TiO2 crystals were anatase phase because the peak at 25.30 corresponds to (101) planes of anatase. The spectrophotometer results showed that the optical transmittance for all samples were about 80%. For the energy conversion efficiency characterization, it was found that the NiO/TiO2 composite films that were prepared from 0.5 atm% of Ni(NO3)2?6H2O solution had the better energy conversion efficiency than TiO2 films.
关键词： NiO/TiO2 composite film,Dye sensitized solar cell,Spray pyrolysis technique
更新于2025-09-23 15:21:01