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Physiologically Stable Hydrophilic C60 Nanoparticles for Photodynamic Therapy
摘要： Hydrophilic C60 nanoparticles that are highly stable in living systems were prepared with sugammadex, an anionic γ-cyclodextrin derivative, via a simple procedure for use in biological applications. The prepared C60/sugammadex nanoparticles showed outstanding stability under physiological conditions and even in much harsher conditions. The sugammadex interacted with C60 nanoparticles through strong host-guest interactions on the particle surface, producing a negatively charged layer on the surface of nanoparticles, which contributed to the high stability of the nanoparticles. In addition, the nanoparticles were highly stable in the presence of singly charged cations which are present in abundance in living systems. The stable C60/sugammadex nanoparticles showed a significantly different biological behavior compared to less stable C60 nanoparticles after intravenous administration. Most of the C60 particles accumulated and remained in organs of the reticuloendothelial system (RES) after administration, which are susceptible to forming aggregates in physiological conditions. On the other hand, the C60/sugammadex nanoparticles showed a completely different biological behavior, i.e. longer blood circulation, low RES uptake and elimination with time from organs. The photodynamic activity of C60/sugammadex nanoparticles was evaluated both in vitro and in vivo, and an outstanding antitumor effect was achieved based on the generation of reactive oxygen species under light irradiation. We envision that such stable C60 nanoparticles would be a desirable approach for extending the biological applications of these materials and the precise evaluation of C60 activity in living systems.
关键词： nanoparticle,biodistribution,in vivo aggregation,photodynamic therapy,fullerene
更新于2025-09-23 15:22:29
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Triptycene Based Fluorescent Polymers with Pendant Alkyl Chains: Interaction with Fullerene and Morphology of Thin Films
摘要： We report unique triptycene based alternating copolymers bearing long alkyl chains as pendants. Syntheses utilized 2,6-diethynyltriptycene and appropriate alkyloxyarene monomers polymerized via Sonogashira cross coupling reaction to yield triptycene based poly(phenylene ethynylene)s (TPPEs). Resulting polymers are soluble in organic solvents and were characterized by FT-IR, NMR, GPC, TGA, AFM, SEM, UV-visible and fluorescence spectroscopic techniques. Experimental results suggest polymers are thermally stable and fluorescent. The fluorescence emission was quenched in presence of fullerenes (C60 and C70) suggesting their strong host-guest interactions. The magnitude of binding constant between polymer and these fullerenes was determined to be in the order of 105 M-1.The effect of chain length on the morphology and wettability of polymers on silicon substrates were studied using atomic force microscope. Three distinct dewetting patterns viz., spherical domains, fractal and ring structures, were observed with variation in the pendant chain length. This ability to control the thin film morphology of polymers may have potential technological applications, which includes but is not limited to sensors, fluorescent coatings and organic electronics.
关键词： Triptycene,binding interaction with fullerene,AFM,fluorescence
更新于2025-09-23 15:21:21
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Structural, vibrational, spectroscopic, NMR and quantum chemical studies on fullerene and bromofullerenes
摘要： The most stable, optimized structures of fullerene (C60) and bromofullerenes (C60Br6) molecules were predicted by the density functional theory calculations using B3LYP method with 6311G(d,p) basis set. The obtained parameters were estimated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT). Bromofullerene (C60Br6) was architectured by directly bonding with bromine atom at C60 reactive sites. Theoretically calculated vibrational wavenumbers were assigned and compared. Ultraviolet-visible spectrum was mimicked by Polarizable Continuum model. The 13C NMR spectra were simulated by nuclear magnetic tensor GIAO for C60 and C60Br6 relative to tetramethyl silane. The molecular electrostatic potential surface was simulated. The transition between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) revealed different charge transfer possibilities which occur for the molecule and other related molecular properties were computed and tabulated. Natural bond orbital (NBO) analysis was carried out to image the charge transfer between the localized bonds and lone pairs of the electrons. The enhanced reactivity and peculiar energy gap by the substitution of bromine in fullerene pave way for designing the optoelectronic devices and bioactive molecules which will be useful in the field of sensors and carbon nano medicine.
关键词： HOMO,Fullerene,LUMO,NMR,Bromofullerene
更新于2025-09-23 15:21:21
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Small bandgap non-fullerene acceptor enables efficient PTB7-Th solar cell with near 0 eV HOMO offset
摘要： Three small bandgap non-fullerene (SBG NFAs) acceptors, BDTI, BDTI-2F and BDTI-4F, based on a carbon-oxygen bridged central core and thieno[3,4-b]thiophene linker, end-capped with varied electron-withdrawing terminal groups, were designed and synthesized. The acceptors exhibit strong absorption from 600 nm to 1000 nm. The optimal device incorporating designed NFA and PTB7-Th polymer donor achieves a power conversion efficiency of 9.11% with near 0 eV HOMO offset. The work presents a case study of efficient non-fullerene solar cells with small HOMO offsets, which is achieved by blending PTB7-Th with fine-tuned SBG acceptor.
关键词： Organic solar cells,Driving force,HOMO offset,Non-fullerene acceptors,Small bandgap
更新于2025-09-23 15:21:01
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Ternary Organic Solar Cells Based on two Non-fullerene Acceptors with Complimentary Absorption and Balanced Crystallinity
摘要： The ternary blend structure has been demonstrated as an effective approach to increase the power conversion efficiency of organic solar cells. An effective approach to enhance the power conversion efficiency of ternary solar cells is based on two non-fullerene acceptors with complimentary absorption range and balanced crystalinity. In this work, by introducing a high crystallinity small-molecule acceptor, named C8IDTT-4Cl with appropriate alkyl side chains into a low crystalline blend of conjugated polymer donor PBDT-TPD and fused-ring electron acceptor ITIC-4F. A ternary device based on the blend PBDT-TPD:ITIC-4F:C8IDTT-4Cl exhibits a best power conversion efficiency of 9.51% with a simultaneous improvement of the short-circuit current density to 18.76 mA cm-2 and the fill factor up to 67.53%. The absorption onset for C8IDTT-4Cl is located at 900 nm, so that the well complementary light absorption is beneficial to the photocurrent. In addition, the existence of high crystallinity C8IDTT-4Cl in the ternary device is found helpful to modulate crystallinity, improve heterojunction morphologies and stacking structure, therefore to realize higher charge mobility and better performance.
关键词： Non-fullerene Acceptors,Ternary Organic Solar Cells,Power Conversion Efficiency,Complimentary Absorption,Balanced Crystallinity
更新于2025-09-23 15:21:01
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Different agglomeration properties of PC <sub/>61</sub> BM and PC <sub/>71</sub> BM in photovoltaic inks a?? a spin-echo SANS study
摘要： Fullerene derivatives are used in a wide range of applications including as electron acceptors in solution-processable organic photovoltaics. We report agglomeration of fullerene derivatives in optically opaque solutions of PC61BM and PC71BM, with concentrations ranging from 30 mg mL?1 up to 90 mg mL?1, in different solvents with relevance to organic photovoltaics, using a novel neutron scattering technique, Spin-Echo Small Angle Neutron Scattering (SESANS). From SESANS, agglomerates with correlation lengths larger than 1 mm are found in some PC61BM solutions, in contrast no agglomerates are seen in PC71BM solutions. These results clearly show that PC71BM is fundamentally more soluble than PC61BM in the solvents commonly used in photovoltaic inks and corroborating similar observations previously achieved using other experimental techniques. Computer models are presented to study the energetics of solution and agglomeration of both species, ascribing the difference to a kinetic effect probably related to the larger anisotropy of PC71BM. Also, this work showcases the power of SESANS to probe agglomerates of fullerene derivatives in completely opaque solutions for agglomerates of the order of one to several microns.
关键词： Fullerene derivatives,SESANS,PC61BM,agglomeration,organic photovoltaics,PC71BM
更新于2025-09-23 15:21:01
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Non-fullerene small molecule acceptors with three-dimensional thiophene/selenophene-annulated perylene diimides for efficient organic solar cells
摘要： Three-dimensional non-fullerene acceptors with a spiro core linked with S/Se fused perylene diimides possess appropriate energy levels, twisted molecular configuration and high carrier mobility, leading to a power conversion efficiency of 6.95% for the organic solar cells.
关键词： perylene diimides,organic solar cells,carrier mobility,non-fullerene acceptors,spiro core
更新于2025-09-23 15:21:01
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An Acceptor-Donor-Acceptor Type Non-Fullerene Acceptor with Asymmetric Backbone for High Performance Organic Solar Cells
摘要： An A-D-A type acceptor CC10 with the asymmetric D unit has been designed and synthesized through introducing an alkylbenzene into a symmetric acceptor CC5. Compared with the symmetric CC5, the asymmetric CC10 showed similar absorption range and energy level, but better π-π stacking, enhanced electron mobility and optimized microscopic morphology. As a result, the CC10-based organic solar cells demonstrated a high PCE of 11.78%, better than that of 6.91% for CC5-based device. The significantly improved device performance casued only by minor modification in molecular backbone indicates that there is substantial potential of asymmetric strategy for design high performance active layer materials.
关键词： Non-Fullerene Acceptor,Organic solar cells,Asymmetric Backbone,High Performance
更新于2025-09-23 15:21:01
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Progress of the key materials for organic solar cells
摘要： Organic solar cells have attracted academic and industrial interests due to the advantages like lightweight, flexibility and roll-to-roll fabrication. Nowadays, 18% power conversion efficiency has been achieved in the state-of-the-art organic solar cells. The recent rapid progress in organic solar cells relies on the continuously emerging new materials and device fabrication technologies, and the deep understanding on film morphology, molecular packing and device physics. Donor and acceptor materials are the key materials for organic solar cells since they determine the device performance. The past 25 years have witnessed an odyssey in developing high-performance donors and acceptors. In this review, we focus on those star materials and milestone work, and introduce the molecular structure evolution of key materials. These key materials include homopolymer donors, D-A copolymer donors, A-D-A small molecular donors, fullerene acceptors and nonfullerene acceptors. At last, we outlook the challenges and very important directions in key materials development.
关键词： D-A copolymer donors,nonfullerene acceptors,key materials,organic solar cells,fullerene acceptors
更新于2025-09-23 15:21:01
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Structure-Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Non-Fullerene Acceptors for Organic Photovoltaics: Effect of Aryl Group
摘要： Azadipyrromethene-based zinc(II) complexes were demonstrated to be promising molecular organic semiconductors for electronic applications due to their easy preparation, tunable structures and high electron affinity. The first successful such complex incorporated phenylethynyl groups at the pyrrolic positions, which red-shifted the absorption spectra of zinc(II) bis(tetraphenyl azadipyrromethene) and improved morphology in blends with poly(3-hexylthiophene) (P3HT). We recently discovered that replacing the phenyl group in the pyrrolic positions with the larger 1-naphthyl group [Zn(L2)2] increases crystallinity and improves the organic photovoltaic (OPV) performance. In this work, two more aryl groups were explored to further investigate the relationship between the aryl groups in the pyrrolic position and electronic properties: naphthyl with a different anchoring site, 2-naphthyl [Zn(L3)2], and a larger aryl group, 9-phenanthrenyl [Zn(L4)2]. The larger aryl group slightly improved absorptivity and red-shifted the absorption spectra and lead to different packing modes in crystals with most intermolecular π-π stacking interactions being of T-shaped type involving the pyrrolic aryl group of one complex. Of the series, 1-naphthyl gave the highest crystallinity. The OPV power conversion efficiency (PCE) of Zn(L3)2 and Zn(L4)2 when blended with P3HT was 3.7% and 3.4%, respectively, both lower than that of Zn(L2)2, PCE of 5.5% due to higher trap-assisted recombination and less favorable morphology. Charge carrier mobility in these complexes was also relatively low, also limiting performance. Single-point energy calculations point to low overlap integrals as a cause for the low mobility. The aryl group anchoring position and size therefore have a large effect on properties in these systems, but do not appear to significantly enhance intermolecular interactions.
关键词： Azadipyrromethene,zinc(II) complexes,non-fullerene acceptors,structure-property study,organic photovoltaics
更新于2025-09-23 15:21:01