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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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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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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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One-step hydrothermal synthesis of NiCo2S4 loaded on electrospun carbon nanofibers as an efficient counter electrode for dye-sensitized solar cells
摘要： Possing excellent catalytic performance about counter electrode (CE) is the prerequisite for obtaining high performance dye sensitized solar cells (DSSCs). Herein, The NiCo2S4/carbon nanofibers (NiCo2S4/CNFs) are successfully synthetised via hydrothermal and electrospinning method, and then directly used in DSSCs. Owing to the synergistic effect between the catalytic of NiCo2S4 materials and the electrical conductivity of CNFs, All chemical measurements reveal that NiCo2S4/CNFs applied in DSSCs exhibit good power conversion efficiency (9.0%) and stability, which surpass that of DSSCs with Pt CE (7.48%), indicating that NiCo2S4/CNFs composite would be helpful for the low-cost and efficient application of DSSCs.
关键词： Dye-sensitized solar cells,Electrospinning technology,Counter electrode,Transition metal sulfides
更新于2025-09-23 15:21:01
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Photocatalytic degradation enhancements of dyes with bi-functionalized zones of modified nanoflower like TiO2 with Pt-C3N4 under sunlight irradiation
摘要： In this work, a novel method was proposed to photodegradation of organic dyes as important pollutants in wastewaters of textile industries. A one-step hydrothermal method was used to directly synthesis nanoflower like TiO2 on ordinary glass (OG) and modified with Pt-C3N4 nanotubes (NFs TiO2/Pt-C3N4) via electrophoretic deposition (EPD) method. Its photocatalytic activity investigated for degradation of three dyes under sunlight irradiation. The properties of NFs TiO2/Pt-C3N4 NTs were characterized by SEM, FT-IR, EDS, and XRD. Reduction of band gap energy and improvement of light absorption in the visible region for the modified photocatalyst were evaluated by using Tauc’s plot method. The experimental result showed that the NFs TiO2/Pt-C3N4 NTs achieved degradation efficiency of <97% at 240 min, towards methylene blue (MB), methyl violet (MV) and malachite green (MG) which are higher than pure TiO2 (68%, 83%, and 71%, respectively). Also as a new strategy, a part of the NFs TiO2/Pt-C3N4 NTs was used as a photoanode of the dye-sensitized solar cell (DSSC) and the other part, placed at a solution as a degradation zone. So with this bi-functionalized system, the degradation time was reduced from 240 min to 120 min with the same degradation efficiency.
关键词： Nanoflowers of TiO2,Pt-C3N4 nanotubes,dye-sensitized solar cells,photodegradation,bi-functionalized system
更新于2025-09-23 15:21:01
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Morphological control of TiO2 nanocrystals by solvothermal synthesis for dye-sensitized solar cell applications
摘要： TiO2 nanocrystals TETA1, TPRA2, TIPA3, TBUA4, TTBA5, and TBNA6 were prepared using ethanol, 1-propanol, isopropyl alcohol, n-butanol, tert-butyl alcohol, and benzyl alcohol, through the alcohol-based solvothermal method. The morphology, size, and crystallinity of the TiO2 nanocrystals were characterized utilizing transmission electron microscopy, scanning electron microscopy, X-ray diffraction, and high-resolution transmission electron microscopy analyses. These six TiO2 nanocrystals with different morphologies were used as photoanodes in dye-sensitized solar cells (DSSCs) and their cell efficiencies were 8.08 % (TETA1), 8.38 % (TPRA2), 9.18 % (TIPA3), 7.68 % (TBUA4), 7.85 % (TTBA5), and 6.10 % (TBNA6). Among them, the well dispersed rod-shaped one-dimensional TiO2 (TIPA3) photoanode based cell showed the best power conversion efficiency due to its highest dye loading and excellent light-harvesting capacity. This TIPA3 cell demonstrated a fast electron transport rate with suppressed charge recombination which was confirmed from electrochemical impedance spectroscopy.
关键词： dye loading,TiO2 nanocrystals,power conversion efficiency,solvothermal synthesis,dye-sensitized solar cells
更新于2025-09-23 15:19:57
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A DFT study to probe homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells: an approach to suppressing agglomeration of dye molecules
摘要： This work reports a sigma-bridged framework as spacers to design new dye-sensitized solar cells. The norbornylogous bridged spacer can avoid p–p aggregation of dye molecules on the semiconductor surface in DSSCs. These sesquinorbornatrienes are known to exhibit electron propagation through the interaction of sigma and p orbitals via through bond (OITB) and through space (OITS) mechanisms. Density functional theory (DFT) calculations performed with these spacers and a modelled simple donor unit like N,N-dimethylamine and cyanoacrylic acid as the anchoring group showed significant results with the requisite optical parameters for DSSCs. The newly designed dyes have shown comparable or better optical properties compared to the reference dye molecule with p-conjugated thiophene spacer units. The DGinjection, VOC and mnormal values calculated for the designed dyes were found to be higher than those of the reference system. The trans-sesquinorbornatriene system spacer (6-D) showed a VOC of 3.3 eV, DGinjection of 2.4 eV and oscillatory strength (f) of 0.96. The total and partial density of states indicates a good communication between the valence and conduction band for the designed dyes. Transition density matrix results suggest that the exciton dissociation in the excited state is sufficiently high to overcome the coulombic attraction of the hole. These results are promising for the design of dye molecules with such scaffolds, to achieve better efficiency and to eliminate one of the major issues with p-spacer units in DSSCs.
关键词： homo-conjugated norbornylogous bridged spacers,dye molecules,DFT study,dye-sensitized solar cells,suppressing agglomeration
更新于2025-09-23 15:19:57
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How Reproducible are Electrochemical Impedance Spectroscopic Data for Dye-Sensitized Solar Cells?
摘要： Dye-sensitized solar cell (DSC) technology has been broadly investigated over the past few decades. The sandwich-type structure of the DSC makes the manufacturing undemanding under laboratory conditions but results in the need for reproducible measurements for acceptable DSC characterization. Electrochemical impedance spectroscopy (EIS) offers the possibility to study complex electronic systems and is commonly used for solar cells. There is a tendency in the literature to present impedance data only for one representative device. At the same time, as current density–voltage plots illustrate, measurements can vary within one set of DSCs with identical components. We present multiple DSC impedance measurements on “identical” devices prepared using two different dyes and present a statistical analysis regarding the reproducibility.
关键词： dye,statistical analysis,dye-sensitized solar cells,electrochemical impedance spectroscopy
更新于2025-09-23 15:19:57
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Approaches to The Hagfeldt Donor and Use of Next Generation Bulky Donor Designs in Dyea??Sensitized Solar Cell Dyes
摘要： 'The Hagfeldt donor' is a bulky triarylamine building block with 4 alkyl chains in a 3-dimensional arrangement which is used with organic dyes in dye-sensitized solar cells (DSCs) in over 140 manuscripts. Many of the highest performing DSC devices in literature make use of this group due to exceptional TiO2 surface protection properties which slows recombination of electrons in TiO2 with the electrolyte. Importantly, record-setting cobalt and copper redox shuttle based-DSCs require exceptional surface protection to slow a facile recombination of electrons to these positively charged redox shuttles. Several syntheses have emerged for the Hagfeldt donor due to the need for iterative aryl-halide cross couplings complicating a straight forward route. The six synthetic strategies found in literature are described along with the challenges of each route. A recent method that has been put forward in the literature as a scalable, regioisomerically pure route is highlighted.
关键词： dye design,masked halide,dye-sensitized solar cells,low recombination functionality,Hagfeldt donor
更新于2025-09-23 15:19:57