28 research outputs found

    Conjugated Side-Chain-Isolated D–A Copolymers Based on Benzo[1,2‑<i>b</i>:4,5‑<i>b</i>′]dithiophene-<i>alt</i>-dithienylbenzotriazole: Synthesis and Photovoltaic Properties

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    Conjugated side-chain-isolated D–A copolymers, based on the donor unit of benzodithiophene (BDT) with a thiophene-conjugated side chain, thiophene π bridge, and the acceptor unit of benzotriazole (BTA) with or without fluorine substitution (PBDT-FBTA and PBDT-HBTA), were designed and synthesized for elucidating their structure–property relationships. The copolymer films demonstrated well-defined absorption peaks with steep absorption edges, consistent with their rigid and ordered structures in the solid films. The substitution of a thiophene-conjugated side chain on the BDT unit in the copolymers aroused 15-nm red-shifted absorption in comparison with its polymer analogues with alkoxy side chains on the BDT unit. Compared to PBDT-HBTA, PBDT-FBTA with two-fluorine-atom substitution on the BTA unit demonstrated a lower highest occupied molecular orbital energy level, higher hole mobility, and significantly better photovoltaic performance. A polymer solar cell (PSC) based on PBDT-FBTA/PC<sub>70</sub>BM (1:2, w/w) with a 5% 1,8-diiodooctane additive displayed a power conversion efficiency (PCE) of 6.0% with a <i>J</i><sub>sc</sub> of 11.9 mA cm<sup>–2</sup>, a <i>V</i><sub>OC</sub> of 0.75 V, and a fill factor of 67.2%, under the illumination of AM1.5G, 100 mW cm<sup>–2</sup>. Even at a thicker active layer of 400 nm, the PSC still demonstrated a higher PCE of 4.74%. The results indicate that PBDT-FBTA is a promising polymer donor material for future application of large-area PSCs

    Study of molecular mechanism and extraction performance evaluation for separation of phenolics from alkaline wastewater through synergistic extraction

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    Phenols were a kind of pollutant in coal chemical wastewater with high concentration and difficult to decompose and have a significant impact on the subsequent biochemical treatment of the wastewater. In addition, phenols were a kind of weak electrolytes that partially dissociation oxidation under weakly alkaline conditions, making recovery more difficult. In order to solve this problem, phenols were extracted from weak alkaline wastewater with a synergistic solvent. First, the interaction between solvents and phenols and the solvent effect of solvents were calculated by quantum chemistry and the synergistic extractant cyclohexanone/1-pentanol was determined to have significant advantages. Moreover, the synergistic extractant was further analyzed through independent gradient model based on Hirshfeld partition analysis, atoms in molecule topology analysis, electrostatic potential analysis. Results indicated that the synergistic extract can provide multiple hydrogen bond interactions with phenol due to the double action sites of the C=O group of ketone and the -OH group of alcohol. In addition, the efficacy of the extractant was validated by multistage extraction, indicating partial dissociation oxidation of hydroquinone to benzoquinone under weakly alkaline conditions, with removal rates of 99.5% and 99.2% for phenol and hydroquinone, respectively. In general, the synergistic extractant can effectively remove phenols.</p

    Comparison of the Optical and Electrochemical Properties of Bi(perylene diimide)s Linked through Ortho and Bay Positions

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    The Ullmann homocoupling of 2-bromo-perylene diimides (PDIs) gave [2,2′-biperylene]-3,4:9,10:3′,4′:9′,10′-tetrakis­(dicarboximide)­s, 2,2′-bi­(PDI)­s, and the Suzuki coupling of a PDI-2-boronic ester and a 1-bromo-PDI gave a [1,2′-biperylene]-3,4:9,10:3′,4′:9′,10′-tetrakis­(dicarboximide), 1,2′-bi­(PDI). These were compared with [1,1′-biperylene]-3,4:9,10:3′,4′:9′,10′-tetrakis­(dicarboximide)­s, 1,1′-bi­(PDI)­s. Solution absorption spectra suggest that the PDIs in 2,2′-bi­(PDI)­s are more planar and less strongly coupled than those in 1,1′-bi­(PDI)­s, which is consistent with density functional theory calculations. 2,2′-Bi­(PDI)­s are less easily reduced than 1,1′- and 1,2′-bi­(PDI)­s by ca. 70–90 mV. Bulk heterojunction organic solar cells incorporating a 2,2′-bi­(PDI) acceptor behaved similarly to those employing its 1,1′-bi­(PDI) analogue

    Conjugated Side-Chain Isolated Polythiophene: Synthesis and Photovoltaic Application

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    A design concept of “side chain isolation” was proposed for developing new polythiophene derivatives with conjugated side chain (CSC-PTs), and <b>PT5TPA</b> with styryl–triphenylamine (TPA) side chain and unsubstituted tetrathienyl spacer was designed and synthesized. Compared to previously reported CSC-PTs, side chain isolated <b>PT5TPA</b> showed red–shifted and enhanced π–π* transition absorption of the polymer backbone along with the shoulder peak and steep absorption edge, indicating improved planarity of the backbone. In addition, the unsubstituted thiophene spacer along the polymer backbone of the side chain isolated <b>PT5TPA</b> results in a lower HOMO energy level of the polymer at −5.1 eV. The polymer solar cell based on <b>PT5TPA</b> as donor and indene–C<sub>60</sub> bisadduct as acceptor displayed a power conversion efficiency of 3.6% with a high open circuit voltage of 0.94 V, under the illumination of AM1.5G, 100 mW/cm<sup>2</sup>. The results indicate that the side chain isolated CSC-PTs could open a new way for developing high performance photovoltaic polymers

    Solvothermal Synthesis and Luminescence Properties of BaCeF<sub>5</sub>, and BaCeF<sub>5</sub>: Tb<sup>3+</sup>, Sm<sup>3+</sup> Nanocrystals: An Approach for White Light Emission

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    Novel monodisperse BaCeF<sub>5</sub> and BaCeF<sub>5</sub>: Tb<sup>3+</sup>, Sm<sup>3+</sup> nanocrystals have been successfully synthesized by a simple one-step solvothermal synthesis. Uniformly distributed nanocrystals with an octahedral morphology and particle size of 75–80 nm were observed. X-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), photoluminescence (PL), and decay studies were employed to characterize the samples. Under ultraviolet irradiation, the BaCeF<sub>5</sub>: Tb<sup>3+</sup>, Sm<sup>3+</sup> samples exhibit the typical green emission band of the Tb<sup>3+</sup> ions, as well as an orange-red and red emission bands of the Sm<sup>3+</sup> ions in the presence of Ce<sup>3+</sup> ions. The highly intense orange-red and red emission bands of the Sm<sup>3+</sup> ions were attributed to the effective energy transfer from the Tb<sup>3+</sup> to Sm<sup>3+</sup> ions, which has been justified through the luminescence spectra and the fluorescence decay dynamics. The luminescence colors of BaCeF<sub>5</sub>: Tb<sup>3+</sup>, Sm<sup>3+</sup> nanophosphors can be easily tuned by changing the concentration of Sm<sup>3+</sup> ions. These results suggest that BaCeF<sub>5</sub>: Tb<sup>3+</sup>, Sm<sup>3+</sup> nanocrystals can be explored for three-dimensional displays, back lighting, white light sources, and so on

    Table1_Anti-depression effectiveness of essential oil from the fruits of Zanthoxylum bungeanum maxim. on chronic unpredictable mild stress-induced depression behavior in mice.docx

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    The fruits of Zanthoxylum bungeanum Maxim. Was a popular traditional Chinese herbal medicine for pain relief, itching prevention, and diarrhea relief. The fruits of Zanthoxylum bungeanum Maxim. Essential oil (HEO) had an effect of improving anxiety and other emotional disorders. In this paper, we aim to systematically research the antidepressant effects of HEO on Chronic Mild Unpredictable Stimulation (CUMS) mice and explore the relevant molecular mechanisms. Experimental mice were exposed to CUMS for 8 weeks. Meanwhile, for 8 weeks, Sertraline hydrochloride (20 mg/kg/day) and HEO (50, 100, and 150 mg/kg/day) were administered by gavage. HEO treatment increased residence time of central zone in OFT and open-arm in EPM test but decreased immobility times in FST and TST. Moreover, HEO treatment improved the levels of 5-HT, DA, NE, and BDNF, but reduced CRF and CORT levels of the HPA axis in the hippocampus. Network pharmacology predicted the possible mechanisms for the antidepressant effects of HEO by regulation of PI3K/Akt signaling pathway. The mRNA expression of PI3K and Akt were increased, and immunofluorescence results in the hippocampus indicated that HEO treatment could increase the phosphorylation of PI3K and Akt. Besides, the viability of CORT-treated PC12 cells was significantly improved by HEO treatment. The AO-EB staining, MOMP analysis, and flow cytometry analysis results showed HEO inhibiting the CORT-induced apoptosis in PC12 cells significantly. Besides, the phosphorylation of PI3K and Akt in COTR-induced PC12 cells could increase by HEO treatment. In conclusion, HEO ameliorated depression behavior induced by CUMS, potentially via regulating HPA axis and activating PI3K/Akt signaling pathway to reduce neuronal apoptosis.</p

    KO<sup><i>t</i></sup>Bu-Initiated Aryl C–H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds

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    An efficient iodination reaction of electron-deficient heterocycles is described. The reaction utilizes KO<sup><i>t</i></sup>Bu as an initiator and likely proceeds by a radical anion propagation mechanism. This new methodology is particularly effective for functionalization of building blocks for electron transport materials. Its utility is demonstrated with the synthesis of a new perylenediimide–thiazole non-fullerene acceptor capable of delivering a power conversion efficiency of 4.5% in a bulk-heterojunction organic solar cell

    Effect of Heat Treatment Temperature on the Crystallization Behavior and Microstructural Evolution of Amorphous NbCo<sub>1.1</sub>Sn

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    Heat treatment-induced nanocrystallization of amorphous precursors is a promising method for nanostructuring half-Heusler compounds as it holds significant potential in the fabrication of intricate and customizable nanostructured materials. To fully exploit these advantages, a comprehensive understanding of the crystallization behavior of amorphous precursors under different crystallization conditions is crucial. In this study, we investigated the crystallization behavior of the amorphous NbCo1.1Sn alloy at elevated temperatures (783 and 893 K) using transmission electron microscopy and atom probe tomography. As a result, heat treatment at 893 K resulted in a significantly finer grain structure than heat treatment at 783 K owing to the higher nucleation rate at 893 K. At both temperatures, the predominant phase was a half-Heusler phase, whereas the Heusler phase, associated with Co diffusion, was exclusively observed at the specimen annealed at 893 K. The Debye–Callaway model supports that the lower lattice thermal conductivity of NbCo1.1Sn annealed at 893 K is primarily attributed to the formation of Heusler nanoprecipitates rather than a finer grain size. The experimental findings of this study provide valuable insights into the nanocrystallization of amorphous alloys for enhancing thermoelectric properties
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