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Core-shell hollow spheres of type C@MoS2 for use in surface-assisted laser desorption/ionization time of flight mass spectrometry of small molecules
摘要： Mesoporous carbon hollow spheres coated with MoS2 (C@MoS2) were synthesized to obtain a material with large specific surface area, fast electron transfer efficiency and good water dispersibility. The composite material was applied as a matrix for the analysis of small molecules by surface-assisted laser desorption/ionization time-of-flight mass spectrometry (SALDI-TOF MS). The use of a core-shell C@MoS2 matrix strongly reduces matrix background interferences and increases signal intensity in the analysis of sulfonamides antibiotics (SAs), cationic dyes, emodin, as well as estrogen and amino acids. The composite material was applied to the SALDI-TOF MS analysis of selected molecules in (spiked) real samples. The ionization mechanism of the core-shell C@MoS2 as a matrix is discussed. The method exhibits low fragmentation interference, excellent ionization efficiency, high reproducibility and satisfactory salt tolerance.
关键词： Ionization mechanism,Core-shell C@MoS2,Emodin,Estrogen,Amino acids,Cationic dyes,Sulfonamides antibiotics,SALDI-TOF MS,Salt tolerance
更新于2025-09-12 10:27:22
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The effect of bis-carboxylic groups of squarylium dyes on the efficiency of dye-sensitized solar cells
摘要： Symmetric squarylium dye (SQIND1) with bi-carboxylic groups has been synthesized and photoelectrochemical properties have been studied in comparison with its non-functionalized analog groups (SQIND2). The experimental results showed that the introduction of anchor carboxylic groups in SQIND1 sensitizer provides a more intimate contact with nanoparticles TiO2 which increases the number of charge carriers transferred from the SQIND1 to the semiconductor. The theoretical calculations and absorbance results show that the electron density of LUMO of SQIND1 is delocalized in the whole chromophore, leading to strong electronic coupling between SQIND1 sensitizer and conducting band of TiO2, resulting in improved dye-sensitized solar cell efficiency compared to SQIND2. Hence, the SQIND1 sensitized exhibit better photovoltaic performance. Although, the absence of any linker groups in the SQIND1, then SQIND1 was perfect efficiently sensitized on porous TiO2 with the long UV–Vis and NIR region up to 800?nm of the spectrum and showed higher remarkable performance of values, such as η of 3.3%, a Jsc of 7.6?mA/cm2, a Voc of 0.59, and FF of 0.73.
关键词： Cyclic voltammetry,Dye-sensitized solar cell,Symmetric squarylium dyes,Photoelectrochemical properties,DFT
更新于2025-09-12 10:27:22
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Dye Aggregation, Photostructural Reorganization and Multiple Concurrent Dye···TiO <sub/>2</sub> Binding Modes in Dye-Sensitized Solar Cell Working Electrodes Containing Benzothiadiazole-Based Dye <b>RK-1</b>
摘要： Dye-sensitized solar cells (DSSCs) are widely considered as a promising contender for the next generation of photovoltaic devices. The light-harvesting component in the DSSCs, i.e., the sensitizers, are adsorbed onto the semiconductor layer to form the photoelectrode that absorbs solar energy and converts it into electrical power. The choice of dye has a profound impact on the DSSC performance. Thus, substantial research efforts have been devoted to the development and testing of a large variety of sensitizers during the past decades. We herein focus our attention on the metal-free benzothiadiazole-based dye 2-cyano-3-(4-(7-(5-(4-(diphenylamino)phenyl)-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazol-4-yl)phenyl) acrylic acid (RK-1), which exhibits excellent power conversion efficiency and high stability. Simulations and experiments were combined to conduct a systematic study of its optical and structural properties. RK-1 shows a broad absorption band over the visible region and the formation of H aggregates in solution. Deprotonation of the cyanoacrylic acid group in RK-1 occurs upon dye adsorption onto TiO2. This induces a hypsochromic shift of the absorption band. The emission spectrum of RK-1 shows a broad band and a large Stokes shift (6949 cm-1), indicating the presence of several different structural reorganization processes during excitation. Time-dependent density functional theory (TD-DFT) calculations reveal that intramolecular charge transfer in RK-1 molecules should be predominantly attributed to the HOMO-LUMO transition. DFT modeling also reveals the involvement of cyano group in anchoring to TiO2 which makes the dye…TiO2 binding structure more stable. Fourier transform infra-red spectroscopy data prove that bridging bidentate (BB) and COO/CN (A2) binding modes co-exist in the RK-1···TiO2 interfacial structure.
关键词： DSSC dyes,RK-1,FTIR,DFT,TDDFT,binding mode
更新于2025-09-12 10:27:22
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Exploiting supramolecular assemblies for filterless ultra-narrowband organic photodetectors with inkjet fabrication capability
摘要： Narrowband photodetectors are useful for a myriad of applications involving color discrimination as well as biological imaging and machine vision. Prevalent devices use broadband light absorbing materials in conjunction with electric (charge collection narrowing, photo multiplication) and optical strategies (optical cavity) to narrow down the spectral response of the detector. Here we exploit the intrinsic narrow absorption width of B13–50 nm peculiar to J-aggregates of strongly coupled cyanine dye molecules for narrowband photodetectors. Albeit using ultrathin J-aggregate films (10 nm) unparalleled optical aggregate properties lead to high external quantum efficiency (15%) and response speed (15 kHz) at low bias voltage ((cid:2)1 V). We show that the self-assembly process and device architecture used permit the incorporation of J-aggregates of various cyanine dyes with photodetection maxima ranging from the visible to the near-infrared region up to 1000 nm. Narrow bandwidth (o50 nm) photodetectors fabricated by inkjet printing the active device layers including the J-aggregate film perform on par with spin-coated devices, thus underlining their industrial potential.
关键词： J-aggregates,organic photodetectors,cyanine dyes,narrowband photodetectors,inkjet printing
更新于2025-09-12 10:27:22
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Effect of combination of natural dyes and post-TiCl4 treatment in improving the photovoltaic performance of dye-sensitized solar cells
摘要： Herein, dye-sensitized solar cells (DSSCs) have been sensitized with natural red dye (extracted from red spinach) and yellow dye (extracted from turmeric) and five different combinations of red and yellow dyes (at different volume ratios) to determine the optimum combination of red and yellow dyes for the maximum cell efficiency. In addition, the effect of post-TiCl4 treatment in improving cell efficiency has been studied. From UV-vis absorption spectrum, higher absorbance and cumulative absorption properties over the entire visible region show that the combination of red and yellow dyes absorbs light better than the individual red or yellow dyes. DSSCs sensitized with red and yellow dyes have a photoconversion efficiency of 0.416% and 0.921%, respectively. DSSCs sensitized with the combination of red and yellow dyes showed higher cell parameters than the DSSCs sensitized with the individual yellow or red dye. The photoelectrical parameters of DSSCs cosensitized with the optimum combination of dyes (40% red + 60% yellow) were as follows: short-circuit current (Isc) = 5.343 mA, open-circuit voltage (Voc) = 0.493 V, fill factor (FF) = 0.481, and overall photoconversion efficiency = 1.267%. However, after the treatment of FTO (fluorine doped tin oxide) / TiO2 with TiCl4, a significant amount of improvement in the Isc, Voc, and FF was observed. DSSCs fabricated with TiCl4-treated FTO/TiO2 and sensitized with the optimum combination of red and yellow dyes showed the following cell parameters: Isc= 5.829 mA, Voc= 0.498 V, and F$F = 0.541. Hence, the efficiency obtained was 1.572%, which is almost 1.24 times higher than that of the DSSCs fabricated without TiCl4 treatment. Finally, the possible effect of water content in the combination of dyes has been observed with a fixed amount of red dye in the combination.
关键词： Curcumin,Anthocyanin,Combination of dyes,Blocking layer,Natural red dye,Natural yellow dye,DSSC
更新于2025-09-12 10:27:22
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An electron donating controlling strategy for design several dithieno[3,2-b:2′,3′-d]pyrrole based dyes with D–D–A structure in dye-sensitized solar cells
摘要： One of the important strategies for designing pure organic dyes is to improve the electron donating abilities of dye donors hence increase the intramolecular potential energy difference. In order to quantify the electron-donating capacity of organic units, we firstly propose a parameter donation ability (DA) value for evaluating the electron DA of organic units via theoretical calculation, by using of several fragments such as coplanar dithiophenyl pyrrole, triphenylamine (TPA), phenothiazine (PTZ) and cyanoacetic acid (CA) which is the research objects here. Inspired by the DA values of the above organic fragments, dye PSD-9, PSA-10 and PST-11 were designed and synthesized. Cyclic voltammetric (CV) measurements show that the DA values of dye PSA-10 and PST-11’s donor increases when TPA and PTZ groups are introduced into PSD-9, hence HOMO level increases and the band-gap narrow down. This change is reflected in the absorption spectra: the maximum absorption wavelength of PSA-10 and PST-11 is 63 and 84 nm red-shifted compared with PSD-9. Similarly, the molar extinction coefficients of PSA-10 and PST-11 are increased by 34.7 × 103 and 14.7 × 103 M?1 cm?1, respectively. Combining a mesoporous titania film grafted by these dithiophenyl pyrrole dye with iodine electrolyte, an 4.2% and 4.8% power conversion effciency (PCE) is achieved for PSA-10 and PST-11 at an irradiance of the AM1.5G sunlight, with an significant increasing compared to PSD-9 with an PCE of 1.6%. The typical photocurrent density–voltage (J–V) test shows that the short circuit current of dye PSA-10 and PST-11 is much higher than that of PSD-9, which is the main reason for the improvement of PCE. The red-shift and stronger IPCE curve is the most advantageous evidence of the change of short circuit current. Furthermore, electrochemical impedance measurements is studied for exploring the changes of open-circuit voltage of PSA-10 and PST-11, the results infer that larger donor units and long alkyl chains can effectively increasing current density on photoanode, hence increase the open circuit voltage of the devices.
关键词： electron donating ability,dithieno[3,2-b:2′,3′-d]pyrrole,dye-sensitized solar cells,organic dyes,power conversion efficiency
更新于2025-09-12 10:27:22
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Interfacial Engineering in Functional Materials for Dye‐Sensitized Solar Cells || Dye‐Sensitized Solar Cells: History, Components, Configuration, and Working Principle
摘要： The ever-growing human population requires the consumption of energy in various forms, and therefore researchers in energy field focus on energy harvesting from various sources. The nonrenewable energy sources such as fossil fuels are running out, which cannot be replenished in our life time. The nonrenewable energy sources are carbon-based fossil fuels such as coal, petroleum, and natural gas that emits greenhouse gases (for example carbon dioxide) that cause global warming, a serious threat to the world and mankind. At present, worldwide around three-fourth of the electricity is obtained from the nonrenewable sources that cannot be reused or recycled [1]. Many countries such as Japan, China, France, Ukraine, and India depend on nuclear power stations for the production of electricity and also they are facing several harmful issues from these power plants that lead to environmental pollution [2]. Therefore, the focus of scientists mainly rely on the renewable energy-based energy conversion devices. Solar, wind, hydroelectric, biomass, and geothermal are some of the examples of renewable energy resources available in our earth. Of these, solar energy is an important source of renewable energy, which is available throughout a day all over the year, basically inexhaustible in nature. In case of solar energy, radiation obtained from the sunlight is capable of producing heat and light, causes photochemical reactions, and generates electricity. As the electricity becomes a first and foremost basic need for the mankind, this impressive energy source can be utilized for the conversion of solar to electrical energy using solar cell technology. The strength of solar energy is magnanimous as it provides us about 10 000 times more energy that is higher than the world’s daily need of energy consumption [1]. The earth receives such a huge amount of energy every day, we are fortunate to harness it using suitable solar cell technologies. Regrettably, though solar energy is free of cost, the highly expensive technologies required for its conversion and storage which limit the technology to reach the wider community.
关键词： Dye-Sensitized Solar Cells,photoanode,TiO2,solar energy,dyes,photovoltaic effect,DSSCs,counter electrode,renewable energy,electrolytes
更新于2025-09-12 10:27:22
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Lily (Iris Persica) pigments as new sensitizer and TiO2 nanofibers as photoanode electrode in Dye Sensitized Solar Cells
摘要： In this study, lily (Iris Persica) dyes as sensitizer were examined by UV-Vis and FTIR analyses. Corresponding results showed that lily pigments effectively absorb incident light. This was mainly due to the presence of functional groups such as C=O and O-H in the pigment structure appeared on the FTIR analysis. This shows the appropriateness of lily pigment as sensitizer. On the other hand, anatase TiO2 nanofibers with different diameters were synthesized by Electrospinning method, using Titanium isopropoxide (TIPP) and polyvinylpyrrolidone (PVP) solution. The Electrospinning feed rate was altered from 0.1 to 0.5 mL/h to control the diameter of the TiO2 nanofibers. Other effective parameters including voltage, needle tip distance to collector and speed of collector were 25 kV, 15 cm and 500 rpm, respectively and were kept constant during synthesizing of nanofibers. The Synthesized nanofibers were analyzed and characterized by means of SEM, FESEM, XRD and TEM techniques. The FESEM and XRD analyses indicated that the nanofiber's diameter and crystallinity increase with increase in feed rate. The fabricated DSSC with 430nm TiO2 nanofibers (obtained from flow rate of 0.3mL/h) provided 1.72% energy conversion efficiency (? ), 50.78% conversion efficiency of photon to electron (IPCE), short-circuit current density (JSC) of 2.716 mA/cm2 and open circuit voltage (VOC) of 0.738V. The efficiency of the developed DSSCs, in comparison with the previously fabricated similar cells, were found higher, due to more effective absorption of light by the dyes and adsorption of pigment by nanofibers.
关键词： TiO2 nanofibers,wild lily dyes,Dye sensitized solar cell (DSSC),electrospinning
更新于2025-09-12 10:27:22
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Synthesis, characterization, optical properties, computational characterizations, QTAIM analysis and cyclic voltammetry of new organic dyes for dye-sensitized solar cells
摘要： In recent years, dye-sensitized solar cells (DSSCs) have regarded as potential solar cells for the next generation of photovoltaic technologies. Many organic compounds are explored and used in DSSCs to produce low-cost devices and improve the cell efficiency. In this work, three new heterocyclic purple dyes are synthesized from the reaction of 3-nitropyrazolo[1,5-a]pyridine with various arylacetonitriles for dye-sensitized solar cells (DSSCs), exhibiting high molar extinction coefficients and a broad absorption range led to the good photovoltaic performance of 6.95e7.18%. Physical spectral, analytical data and optical properties are established the structures of the new dyes. The optimized geometries and relevant frontier orbitals of the dyes are obtained by density functional theory (DFT) at the level of B3LYP/6-311 + G(d,p). Electrostatic potential maps and electron density maps of the dyes were also obtained by atoms in molecules (AIM) analysis. Cyclic voltammetry measurement was performed to evaluate the electrochemical properties of the dyes and reversible oxidation waves were observed for them.
关键词： Dye-sensitized solar cells,DFT,3-Nitropyrazolo[1,5-a]pyridine,AIM,Cyclic voltammetry,Purple dyes
更新于2025-09-12 10:27:22
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Ultrasound‐assisted nanoscaled supramolecular coordination polymer as an efficient recyclable catalyst for photocatalytic degradation of dye pollutants
摘要： An ultrasound‐assisted nanoscaled supramolecular coordination polymer (nanosized 1′) has been synthesized using a self‐assembly reaction of K3[Cu(CN)4] and hexamethylenetetramine in the presence of Me3SnCl under ambient conditions. Nanosized1′ was examined using elemental analysis, Fourier transform–infrared, scanning electron microscopy, transmission electron microscopy and X‐ray powder diffractions. It was structurally compared with the single crystal 3[Cu6(CN)7(C6H12N4)2(OH3)]; SCP 1. The photocatalytic activities of nanosized 1′ and SCP 1 toward different hazardous organic dyes were determined under ambient, UV‐light irradiation and ultrasonic conditions. SCP 1 and nanosized 1′ as heterogeneous nanoparticles catalysts exhibited high catalytic activity for degradation of Congo Red, Methyl Violet 2B and Methylene Blue dyes. The effects of operational parameters on catalytic degradation process, identification of the degradation products and recycling of the catalyst were also investigated. SCP 1 and nanosized 1′ are recyclable heterogeneous catalysts and can be reused with efficient activities. The mechanism of degradation using different scavenger techniques is proposed and discussed. The catalytic oxidation process is mainly caused by ?OH radicals.
关键词： photocatalytic degradation,nanoscaled supramolecular coordination polymer,hazardous organic dyes
更新于2025-09-12 10:27:22