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Steady Enhancement in Photovoltaic Properties of Fluorine Functionalized Quinoxaline-Based Narrow Bandgap Polymer
摘要： To investigate the influence of fluoride phenyl side-chains onto a quinoxaline (Qx) unit on the photovoltaic performance of the narrow bandgap (NBG) photovoltaic polymers, herein, two novel NBG copolymers, PBDTT-DTQx and PBDTT-DTmFQx, were synthesized and characterized. 2-ethylhexylthiothiophene-substituted benzodithiophene (BDTT), 2,3-diphenylquinoxaline (DQx) [or 2,3-bis(3-fluorophenyl)quinoxaline (DmFQx)] and 2-ethylhexylthiophene (T) were used as the electron donor (D) unit, electron-withdrawing acceptor (A) unit and π-bridge, respectively. Compared to non-fluorine substituted PBDTT-DTQx, fluoride PBDTT-DTmFQx exhibited a wide UV-Vis absorption spectrum and high hole mobility. An enhanced short-circuit current (Jsc) and fill factor (FF) simultaneously gave rise to favorable efficiencies in the polymer/PC71BM-based polymer solar cells (PSCs). Under the illumination of AM 1.5G (100 mW cm?2), a maximum power conversion efficiency (PCE) of 6.40% was achieved with an open-circuit voltage (Voc) of 0.87 V, a Jsc of 12.0 mA cm?2 and a FF of 61.45% in PBDTT-DTmFQx/PC71BM-based PSCs, while PBDTT-DTQx-based devices also exhibited a PCE of 5.43%. The excellent results obtained demonstrate that PBDTT-DTmFQx by fluorine atom engineering could be a promising candidate for organic photovoltaics.
关键词： quinoxaline,synthesis,polymer solar cells,bulk heterojunction,narrow bandgap conjugated polymer
更新于2025-11-19 16:56:42
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Effect of concentration of DH6T on the performance of photoconductor fabricated using blends of P3HT and DH6T
摘要： The influence of small molecule (SM) α, ω-di-hexyl-sexithiophene (DH6T) concentration, in the blends of conjugated polymer (CP) poly (3-hexylthiophene) (P3HT) and DH6T, was investigated in terms of barrier potential reduction and improved photoresponse of the fabricated photoconductor using these blends. Barrier potential in Au/P3HT:DH6T/Au device structure, occurring at the interface of Au (top)/P3HT:DH6Twas estimated by Fowler Nordheim (FN) tunneling model-based analysis of I-V characteristics. The barrier potential of the fabricated device was observed to decrease upon addition of a small quantity of DH6T in comparison to the pristine polymer-based device. This reduction in barrier was attributed to the improved ordering and morphology of the polymer chains upon blending it with an SM. The variation in the ordering of the polymer chains was further confirmed with Photoluminescence spectroscopy, Absorption spectroscopy, and XRD data. Subsequently, it was also observed that only up to a definite SM concentration (25% in this study) ordering of polymer chains improved causing a reduction in barrier potential and subsequent improvement in the photoresponse of the fabricated devices. Finally, it was observed that the optimized blending of CP and SM could to be useful in reducing the effect of penetration of Au inside the CP matrix in the top contact configuration thereby resulting in the reduction of a barrier for carrier injection which is generally lower in the bottom contact configurations. These studies are critical from the point of view of the development of photoconductors and photosensitive top contact organic field effect transistors (OFETs).
关键词： Barrier potential,Small molecule,Photoconductor,Conjugated polymer
更新于2025-11-19 16:56:35
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Conjugated helical polymers: End-group control and coupling reactions
摘要： Telechelic helical poly(phenyleneethynylene)s 2 and 3 bearing end iodo and ethynyl groups were synthesized by the Sonogashira–Hagihara coupling reaction of prepolymer 1 with N-α-tert-butoxycarbonyl-3,5-diiodo-4-hydroxy-D-phenylglycine hexylamide (4) and p-diethynylbenzene (5), respectively. Polymer 2 was treated by Sonogashira–Hagihara coupling reaction with 1,6-diethynylpyrene (a) and 4,4-diethynylbiphenyl (b) to obtain the corresponding polymers 2a and 2b. Polymer 2 was also subjected to the Mizoroki–Heck coupling reaction with diphenyl(p-vinylphenyl)phosphine (e) to obtain the corresponding polymer 2e, and the incorporation of the phosphine moieties was confirmed by 31P NMR spectroscopy. In a similar fashion, polymer 3 was polymerized with 1,4-dibromonaphthalene (c) and 9,10-dibromoanthracene (d), but no concrete evidence for the formation of polymers 3c and 3d was observed. Circular dichroism (CD) spectroscopic analysis revealed that all the polymers adopted folded helical conformations with predominantly one-handed screw sense in CHCl3. The polymers exhibited photoluminescence (PL) depending on the incorporated functional groups.
关键词： helical polymer,telechelic polymer,coupling reaction,conjugated polymer
更新于2025-11-19 16:46:39
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Time-dependent DFT and experimental study on visible light photocatalysis by metal oxides of Ti, V and Zn after complexing with a conjugated polymer
摘要： Density Functional Theory (DFT) and Time Dependent (TD)-DFT studies predict substantial modifications in optical properties of Transition Metal Oxides (TMOs) of Ti, V and Zn by complexing them with conjugated polymer polythiophene (PTh). The TMO nanostructures were synthesized and their complexes with polymers were fabricated using a chemical oxidative polymerization method. Coating of the TMOs with PTh and the nano-dimensional nature of the samples was confirmed by various morphological investigations such as infrared (IR), X-ray di?ractographs (XRD), High Resolution Transmission Electron Microscopy (HR-TEM) and field emission scanning electron microscopy (FE-SEM) techniques. The prepared samples were found to be a visible light driven photocatalyst. The sensitization of the complexes has been explained in terms of relative ordering of frontier orbitals of PTh and the TMO, and PTh qualified as an e?cient photosensitizer for all three metal oxides on the basis of its electronic characteristics. Since the Highest Occupied Molecular Orbital (HOMO) of PTh lies well between the band gap of all three TMOs, the electron transfer from donor (PTh) to acceptor (TMO) is facilitated. The appreciable red shift in the absorption spectrum and decrease in the optical band gap calculated by Tauc’s plot confirmed substantial reduction in the band gap of the formed complex in comparison to their bare counterparts. The isodensity plots established the PTh–TMO complexes as donor acceptor complexes and intermolecular charge transfer quantified the electron transfer from PTh (donor) to the TMOs (acceptor).
关键词： conjugated polymer,TD-DFT,visible light,metal oxides,DFT,photocatalysis,polythiophene,band gap tuning
更新于2025-11-14 17:04:02
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Conjugated donor-acceptor polymer photocatalysts with electron-output “tentacles” for efficient hydrogen evolution
摘要： The tunable structures and versatile properties for conjugated polymers (CPs) make them viable as a molecular platform for photocatalytic water splitting. Normally, structure design of polymer photocatalyst is focus on tuning its optical band structure or charge-separation ability, the importance of electron-output ability in photocatalytic process is always ignored. This study demonstrates a molecular engineering strategy by introducing an electron-output “tentacle” site, i.e. dibenzothiophene-S,S-dioxide (FSO) unit, into the polymer backbone to construct a series of donor-acceptor type conjugated polymer photocatalysts for efficient hydrogen evolution, which not only results in optimized light absorption ability and excellent exciton-separation, but also leads to the efficient electron-output ability. Detailed DFT calculations further theoretically confirm the vital role of FSO unit as an electron-output “tentacle” site.
关键词： Conjugated polymer,Electron-output “tentacles”,Artificial photosynthesis,Hydrogen evolution,Photocatalysis
更新于2025-09-23 15:23:52
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Unique Substitution Effect at 5,5′ Positions of a Fused Azobenzene-Boron Complex with N=N Double-Bond π-Conjugated System
摘要： The recent report illustrates superior optical properties, such as near infrared emission, from the polymers with the connection positions at 4,4′ positions in the fused azobenzene–boron complex (BAz). In this study, we initially demonstrate that further narrower band gap can be realized by the substituent effect with bromine groups at 5,5′ positions of BAz than that at 4,4′ positions. From the series of mechanistic studies, perturbation of the energy levels were rationally explained by the contribution difference between the inductive effect and the variable resonance effect which is correlated to the degree of electron distribution of molecular orbitals at the substituent positions. Moreover, it was found that unique electronic states, such as delocalized highest occupied molecular orbital and localized lowest unoccupied molecular orbital, should appear on the main chains of the BAz-containing copolymers with fluorene and bithiophene units according to the optical and electrochemical data and theoretical calculations. Taking advantage of property tunability and the dramatic low LUMO energy level (near ?4.0 eV) of the BAz unit, it can be said that BAz should be a conjugated building block favorable for building advanced optoelectronic devices.
关键词： azobenzene,boron,narrow band gap,conjugated polymer,low LUMO
更新于2025-09-23 15:23:52
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Electrochromic behavior of films and ?smart windows? prototypes based on π-conjugated and non–conjugated poly(pyridinium triflate)s
摘要： This study is focused on two electrochromic poly(pyridinium triflate)s. They are aromatic rigid-rod polymer PV1 and PV12 containing alkyl linkages. Electrochromic behavior of both polymers was comparatively investigated by employing a three-electrode cell and ?smart windows? prototypes. The electrochromic properties of polymer films were examined by electrochemical and spectroelectrochemical methods. Polymers with π-conjugate and non-conjugate structure demonstrate reversible redox process accompanied by a reversible color change both in three-electrode cell and electrochromic device (ECD). In general, introduction of the non-conjugated spacers to the PV12 backbone structure leads to deterioration in the optical contrast and switching time in comparison with π-conjugated PV1. The same effect was also detected for ECD. The reason behind this is thought to be a complication of electron transport in the system due to non-conjugated PV12 backbone structure.
关键词： Electrochromic polymers,Poly(pyridinium) salts,Conjugated polymer,Cyclic voltammetry,Electrochromism
更新于2025-09-23 15:22:29
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Machine-Washable Smart Textiles with Photothermal and Antibacterial Activities from Nanocomposite Fibers of Conjugated Polymer Nanoparticles and Polyacrylonitrile
摘要： Smart textiles based on conjugated polymers have been highlighted as promising fabrics that can intelligently respond to environmental stimuli based on the electrical properties of polymer semiconductors. However, there has been limited interest in the photothermal properties of conjugated polymers that can be applied to smart textiles. We prepared nanoparticles by assembling a conjugated polymer with a fatty acid via an emulsion process and nanocomposite fibers by distributing the conjugated polymer nanoparticles in a polyacrylonitrile matrix. We then fabricated the textiles using the fibers. The resulting fabrics based on nanocomposite fibers show a temperature increase to 50 °C in 10 min under white light irradiation because of efficient photothermal conversion by the conjugated polymer light harvester, while the temperature of a pristine polyacrylonitrile fabric increases to only 35 °C. In addition, excellent antimicrobial activity was confirmed by a 99.9% decrease in the populations of Staphylococcus aureus and Escherichia coli over 24 h because of the effect of the fatty acid in the nanocomposite films and fabrics. Furthermore, the fabric showed efficient durability after a laundry test, suggesting the usefulness of these smart textiles based on conjugated polymer nanoparticles for practical applications.
关键词： smart textiles,smart fabrics,antimicrobial fibers,photothermal conversion,nanocomposite fibers,conjugated polymer nanoparticles,polyacrylonitrile
更新于2025-09-23 15:22:29
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Electrochromic Properties of Polyaniline-Based Hybrid Organic/Inorganic Materials
摘要： Hybrid materials based on polyaniline (PAni) were obtained by in situ polymerization of aniline with chitosan and/or organically modified clay (nanomer I-24) in HCl. The samples were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and direct current (DC) electrical conductivity. Thin films of PAni, PAni-clay, PAni-chitosan and PAni-chitosan-clay were prepared by casting a solution of each sample in N-methyl-2-pyrrolidone (NMP) onto indium tin oxide (ITO)/glass electrodes and their electrochromic properties were investigated. It was observed color variation from transparent yellow in the reduced state (E = ?0.2 V vs. Ag/AgCl), green in the intermediate state (E = 0.5 V) and dark blue in the oxidized state (E = 0.8 V) for all samples. The color changes of each material in function of the applied potential were tracked using the Commission Internationale de l’Eclairage (CIE) system of colorimetry, in which the color change was much more significant for PAni-clay film.
关键词： chitosan,organophilic clay,hybrid material,conjugated polymer,polyaniline
更新于2025-09-23 15:22:29
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The Investigation of the Seebeck Effect of the Poly(3,4-Ethylenedioxythiophene)-Tosylate with the Various Concentrations of an Oxidant
摘要： Poly(3,4-ethylenedioxythiophene)-tosylate (PEDOT-Tos) can be synthesized through an in situ polymerization and doping process with iron(III) p-toluenesulfonate hexahydrate as an oxidant. Both the Seebeck coefficient and the electrical conductivity were modified by varying the concentration of the oxidant. We investigated the effects of varying the concentration of the oxidant on the particle sizes and doping (oxidation) levels of PEDOT-Tos for thermoelectric applications. We demonstrated that an increase in the oxidant enabled an expansion of the particle sizes and the doping levels of the PEDOT-Tos. The modification of the doping levels by the concentration of the oxidant can provide another approach for having an optimal power factor for thermoelectric applications. De-doping of PEDOTs by reduction agents has been generally investigated for changing its oxidation levels. In this study, we investigated the effect of the concentration of the oxidant of PEDOT-Tos on the oxidation levels, the electrical conductivities and the Seebeck coefficients. As loading the oxidant of PEDOT-Tos, the Seebeck coefficient was compromised, while the electrical conductivity increased.
关键词： conjugated polymer,doping concentration,seebeck effect
更新于2025-09-23 15:22:29