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Conjugated Polymer–Assisted Grain Boundary Passivation for Efficient Inverted Planar Perovskite Solar Cells
摘要： Grain boundaries in lead halide perovskite films lead to increased recombination losses and decreased device stability under illumination due to defect-mediated ion migration. The effect of a conjugated polymer additive, poly(bithiophene imide) (PBTI), is investigated in the antisolvent treatment step in the perovskite film deposition by comprehensive characterization of perovskite film properties and the performance of inverted planar perovskite solar cells (PSCs). PBTI is found to be incorporated within grain boundaries, which results in an improvement in perovskite film crystallinity and reduced defects. The successful defect passivation by PBTI yields reduces recombination losses and consequently increases power conversion efficiency (PCE). In addition, it gives rise to improved photoluminescence stability and improved PSC stability under illumination which can be attributed to reduced ion migration. The optimal devices exhibit a PCE of 20.67% compared to 18.89% of control devices without PBTI, while they retain over 70% of the initial efficiency after 600 h under 1 sun illumination compared to 56% for the control devices.
关键词： halide perovskites,conjugated polymers,grain boundary passivation,nickel oxide
更新于2025-11-20 15:33:11
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Multi-scale ordering in highly stretchable polymer semiconducting films
摘要： Stretchable semiconducting polymers have been developed as a key component to enable skin-like wearable electronics, but their electrical performance must be improved to enable more advanced functionalities. Here, we report a solution processing approach that can achieve multi-scale ordering and alignment of conjugated polymers in stretchable semiconductors to substantially improve their charge carrier mobility. Using solution shearing with a patterned microtrench coating blade, macroscale alignment of conjugated-polymer nanostructures was achieved along the charge transport direction. In conjunction, the nanoscale spatial confinement aligns chain conformation and promotes short-range π–π ordering, substantially reducing the energetic barrier for charge carrier transport. As a result, the mobilities of stretchable conjugated-polymer films have been enhanced up to threefold and maintained under a strain up to 100%. This method may also serve as the basis for large-area manufacturing of stretchable semiconducting films, as demonstrated by the roll-to-roll coating of metre-scale films.
关键词： charge carrier mobility,conjugated polymers,solution shearing,stretchable semiconductors,roll-to-roll coating,multi-scale ordering
更新于2025-11-19 16:56:35
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Synthesis of π-conjugated poly(arylene)s by polycondensation of 1,4-bis(3-methylpyridin-2-yl)benzene and aryl dibromides through regiospecific C-H functionalization process
摘要： On the basis of the Ru-catalyzed regiospeci?c direct double arylation of benzene rings possessing 3-methylpyridin-2-yl substituents to produce 1-aryl-2-(3-methylpyridin-2-yl)benzene derivatives, the synthesis of poly(p-phenylene) derivatives having 2,5-bis(3-methylpyridin-2-yl) substituents is described. The reaction of 1,4-bis(3-methylpyridin-2-yl)benzene with bromobenzene (2 equiv) was carried out in the presence of [RuCl2(η6-C6H6)]2 (5 mol %) in 1-methyl-2-pyrrolidone at 120°C for 24 h to produce 1,4-bis(3-methylpyridin-2-yl)-2,5-diphenylbenzene in 99% yield as a sole product. Neither 2,6-diphenylated nor further phenylated products was produced under the examined conditions. This regiospeci?c double arylation process was then applied to the synthesis of π-conjugated polymers by use of aryl dibromides such as 1,4-dibromobenzene, 2,7-dibromo-9,9-dihexyl?uorene, and 2,5-dibromothiophene. For example, a polymer was obtained in 73% yield by using 1,4-dibromobenzene, whose Mn and Mw/Mn were estimated to be 3300 and 1.51, respectively. The bathochromic shift of the ultraviolet (UV)–visible absorption spectrum with respect to that of the model compound, 1,4-bis(3-methylpyridin-2-yl)-2,5-diphenylbenzene, indicated the extension of the π-conjugation. The blue ?uorescence was also observed for the polymer upon the UV irradiation.
关键词： C-H functionalization,direct double arylation,poly(arylene)s,π-conjugated polymers
更新于2025-11-19 16:46:39
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An experimental and theoretical study of the structural ordering of the PTB7 polymer at a mesoscopic scale
摘要： Our extensive study based on optoelectronic and electric measurements (which consisted of: UV-Vis absorption, photoluminescence, surface photovoltage measurement, charge extraction by linearly increasing voltage, and energy-resolved electrochemical impedance spectroscopy) revealed the fundamental role of the thickness of the formation of intra- and interchain interaction in poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7) films. We have shown that the final optoelectronic and electronic properties of PTB7 films are governed by the structural ordering development of the transition from nano- to submicroscale. The ordering of polymer chains and competition between the formation of J- and H-aggregates results in a non-trivial dependence of luminescence, exciton diffusion length, transport band gap, and defect concentration. According to a theoretical analysis, the driving forces responsible for the observed phenomena are associated with the thickness threshold dependence of the thin film drying mode which can proceed with or without the polymer skin formation on the surface of forming film.
关键词： low band-gap,thickness dependences,Conjugated polymers
更新于2025-10-22 19:40:53
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Device Fabrication Based on Oxidative Chemical Vapor Deposition (oCVD) Synthesis of Conducting Polymers and Related Conjugated Organic Materials
摘要： Conducting polymers (CPs) combine electronic conductivity, optical transparency, and mechanical flexibility compatible with lightweight substrates. Due to these features CPs exhibit promising performance for a wide range of applications including electronic, optoelectronic, electrochemical, optochemical, and energy storage and harvesting devices. Fabrication of high-quality CPs thin film in a large scale is of high demand in multiple industrial sectors. Chemical vapor deposition (CVD) is a promising approach for scale-up and commercialization of CPs in large-scale thin film applications by a roll-to-roll process. The CVD technique is a versatile deposition technique for fabricating CPs due to its unique combination of characteristics, including formation of conformal coatings, processing at low temperatures, solvent-free synthesis, uniformity of growth, mechanical flexible films, industrial scale-up, and substrate-independence. This review focuses primarily on the oxidative CVD technique for the fabrication of CPs and related conjugated polymers by emphasizing on their applications in devices.
关键词： conducting polymers (CPs),oxidative chemical vapor deposition (oCVD),conjugated polymers
更新于2025-09-23 15:23:52
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Regulating Charge-Transfer in Conjugated Microporous Polymer for Photocatalytic Hydrogen Evolution
摘要： Band gap engineering in donor-acceptor conjugated microporous polymers is a potential way to increase the solar energy harvesting towards photochemical water splitting. Herein, we report design and synthesis of a series of donor-acceptor CMPs [tetraphenylethylene (TPE) = donor and 9-fluorenone (F) = acceptor], F0.1CMP, F0.5CMP and F2.0CMP which exhibit tunable band gaps and photocatalytic hydrogen evolution from water. The donor-acceptor CMPs exhibit intramolecular charge transfer (ICT) absorption in the visible region (λmax=480 nm) and their band gap is finely tuned from 2.8 eV to 2.1 eV by increasing the 9-fluorenone content. Interestingly, they also show charge transfer emissions (in 540 -580 nm range), assisted by the energy transfer from the other TPE segments (not involved in CT interaction) as evidenced from fluorescence lifetime decay analysis. By increasing the 9-fluorenone content the emission color of the polymer is also tuned from green to red. Photocatalytic activities of the donor-acceptor CMPs (F0.1CMP, F0.5CMP and F2.0CMP) are greatly enhanced compared to the 9-fluorenone free polymer (F0.0CMP) which is essentially due to improved visible light absorption and low band gap of donor-acceptor CMPs. Among all the polymers F0.5CMP with an optimum band gap (2.3 eV) shows highest H2 evolution under visible light irradiation. Moreover, all the polymers show excellent dispersibility in organic solvents and also they are easily processed onto solid substrates.
关键词： Visible-light absorption,Conjugated polymers,Photocatalysis,Charge transfer,Energy transfer
更新于2025-09-23 15:23:52
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Circularly Polarized Luminescence from Chiral Conjugated Poly(carbazole-ran-acridine)s with Aggregation-Induced Emission and Delayed Fluorescence
摘要： Pure organic materials with circularly polarized luminescence (CPL) and delayed fluorescence have gained increasing interest from academic and technological areas. To enhance the solid-state emission and exciton utilization in chiral optoelectronic devices, a synthetic strategy to impart conjugated polymers with CPL and aggregation-induced delayed fluorescence was proposed. Herein, two conjugated macromolecules with electron-donating poly(carbazole-ran-acridine) backbones, electron-withdrawing dibenzothiophen-2-yl(phenyl)methanone and chiral alanine moieties were designed and synthesized. Their neat films exhibited strong green emission with quantum yields of 6.7% and 10.3% and delayed fluorescence with lifetime of 1.358 μs and 1.366 μs, respectively. Both Cotton effect and CPL with dissymmetry factor of –2.01 × 10–3 and –1.39 × 10–3 were determined in the solid state. Such unique conjugated polymers were employed as solution-processed emitting layers in organic light emitting diodes, which displayed maximum brightness of 1477 cd/m2 and maximum current efficiency of 2.52 cd/A.
关键词： OLEDs,conjugated polymers,aggregation-induced emission,delayed fluorescence,aggregation-induced delayed fluorescence,circularly polarized luminescence
更新于2025-09-23 15:23:52
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Tuneable thermal expansion of poly(3,4-ethylenedioxythiophene) polystyrene sulfonate
摘要： The linear coefficient of thermal expansion for a mixture of poly(3,4-ethylenedioxythiophene) and polystyrene sulfonate (PEDOT:PSS) is calculated using density functional theory and the Debye-Grüneisen model. The linear coefficient of thermal expansion is a key factor in thermal management (thermal conductivity, thermal stress and thermal fatigue) of microelectronic and energy devices, being common applications of the conjugated polymeric PEDOT:PSS system. The obtained value of 53×10-6 K-1 at room temperature can be rationalised based on the electronic structure analysis. The PEDOT and PSS units are bonded by a dipole-dipole interaction between S in PEDOT and H in PSS. A C-C bond in a benzene ring (PSS) or thiophene (PEDOT) is up to 13 times stronger than the S-H bond. By adjusting the population of the S-H bonds by deprotonating PSS, the linear coefficient of thermal expansion can be enhanced by 57%. This allows for tuning the thermal properties of PEDOT:PSS in cutting-edge devices.
关键词： electronic structure,thermal properties,density functional theory,conjugated polymers
更新于2025-09-23 15:23:52
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Effects on optoelectronic performances of EDOT end-capped oligomers and electrochromic polymers by varying thienothiophene cores
摘要： Four 3,4-ethylenedoxythiophene (EDOT) end-capped oligomers employing single bond, EDOT, thieno[3,2-b]thiophene (TT) and dithieno[3,4-b;3′,4′-d]thiophene (DTT) units as bridge cores were synthesized and their polymers have been grown electrochemically. To reveal the relationship of structure-performance, the physicochemical properties, energy gaps, micromorphology, and photoelectrochemical behaviors of the oligomers or their polymers were systematically studied. These oligomers with planar rigid structures exhibit gradually narrowed molecular band gaps benefiting from their extended molecular conjugative degrees. These polymers present high electrochromic performances such as the higher optical contrast (59.61%) and coloring efficiency (288.37 cm2 C–1), excellent stability and colour persistence. As a result, increasing cofacial conjugation degrees via integration of TT or DTT into polymer backbone is an efficient method to encourage the intermolecular π-interaction, which brings broad and strong absorption and promote the carriers rapidly transport in polymer backbones to enhance the photoelectric performances. This study will provide promising electrochromic polymers for display applications.
关键词： thienothiophene,electrochromism,EDOT,conjugated polymers,electrosynthesis
更新于2025-09-23 15:22:29
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Ordered assemblies of Fe3O4 and a donor-acceptor-type π-conjugated polymer in nanoparticles for enhanced photoacoustic and magnetic effects
摘要： We report that the ordered structure in the assemblies of iron oxide nanoparticles in conjugated polymer nanoparticles is the key to achieve better properties to realize multimodal theranostic agents for magnetic resonance and photoacoustic imaging. Hybrid nanoparticles of a conjugated polymer (PCPDTBT), a phospholipid (D8PE) with a primary amine polar head, and iron oxide (Fe3O4) nanoparticles were prepared by a phase-separated film shattering process by varying the iron oxide concentration while maintaining a fixed mixing ratio of PCPDTBT and D8PE. Notably, the hybrid nanoparticles assembled at a molar mixing ratio of 1:1:0.8 (PCPDTBT/D8PE/Fe3O4) exhibited the shortest transversal relaxation time, T2, and a photoacoustic signal 22 times higher than that obtained at the 1:1:0 mixing ratio. Structural analysis by X-ray diffraction together with the measurements of energy transfer by transient absorption spectroscopy confirmed that the structural ordering of these hybrid nanoparticles was responsible for their enhanced photoacoustic and magnetic properties.
关键词： Conjugated polymers,Photoacoustic imaging,Magnetic resonance imaging,Iron oxides,Hybrid nanoparticles
更新于2025-09-23 15:22:29