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Synthesis and the effect of alkyl chain length on photochromic properties of diarylethene derivatives
摘要： A new class of photochromic diarylethenes bearing pyrrole and thiophene units with different length of alkyl chains at 2-position of thiophene rings have been synthesized. Their characteristics, including photochromism and fatigue resistance were investigated systematically, and each diarylethene derivative showed good photochromic properties whether in solution or in PMMA films. The alkyl group moiety was connected directly to the central cyclopentene ring as a heteroaryl unit and availably participated in photoisomerization reaction. And some properties, for example, the conversion ratio in the photostationary state(PSS) and the absorption coefficient of the ring-closed isomers in acetonitrile were significantly affected by the alkyl chain length. The results revealed that substituents of alkyl chain played an important role in the photoisomerization process of diarylethenes.
关键词： alkyl chain length,photochromism,pyrrole and thiophene units.,diarylethene
更新于2025-09-23 15:23:52
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Effect of the alkyl chain length on the optoelectronic properties of organic dyes: theoretical approach
摘要： In recent years, investigating organic compounds for Dye Sensitized Solar Cells (DSSCs) applications has received particular attention for its interesting optoelectronics properties. In this article, we have conducted a theoretical study on a series of D–π–A molecules, which have carbazole as a donor (D) and cyanoacrylic acid as acceptor (A) linked by a conjugated bridge. Theoretical calculations were conducted using Density Functional Theory (DFT) and Time-Dependent-DFT to evaluate the substitution effect of linear chains and to elucidate the effects of alkyl chain length (R: H, CH3 to C6H13). We have studied the geometrical structures, the electronic and optical properties, the conduction band shift, as well as the charge transfer parameters: IP, EA, PEE, HEP, λ, LHE, Voc, ΔGinject and ΔGreg of the studied dyes. According to the results obtained, the substitution of hydrogen H (Dye 1) by the methyl group CH3 (Dye 2) has, on the one hand, a significant effect on the values of the energies HOMO and LUMO, and on the other hand, the absorption peak is redshifted and the contribution of the electronic transition (H → L) has been improved (664.17 nm and 70%, respectively). However, the substitution of CH3 (Dye 2) by the other alkyl groups CnH2n+1 (n = 2 to 6) (Dye 3 to Dye 7) has low effects. The best results are obtained by substitution with methyl CH3, and the increase in chain length, which will require additional computing time, has a low effect on the properties of the dyes studied.
关键词： DFT,Optoelectronic properties,Alkyl chain length,Dyes
更新于2025-09-23 15:21:01
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Altering alkyl-chains branching positions for boosting the performance of small-molecule acceptors for highly efficient nonfullerene organic solar cells
摘要： The emergence of the latest generation of small-molecule acceptor (SMA) materials, with Y6 as a typical example, accounts for the surge in device performance for organic solar cells (OSCs). This study proposes two new acceptors named Y6-C2 and Y6-C3, from judicious alteration of alkyl-chains branching positions away from the Y6 backbone. Compared to the Y6, the Y6-C2 exhibits similar optical and electrochemical properties, but better molecular packing and enhanced crystallinity. In contrast, the Y6-C3 shows a significant blue-shift absorption in the solid state relative to the Y6 and Y6-C2. The as-cast PM6:Y6-C2-based OSC yields a higher power conversion efficiency (PCE) of 15.89% than those based on the Y6 (15.24%) and Y6-C3 (13.76%), representing the highest known value for as-cast nonfullerene OSCs. Prominently, the Y6-C2 displays a good compatibility with the PC71BM. Therefore, a ternary OSC device based on PM6:Y6-C2:PC71BM (1.0:1.0:0.2) was produced, and it exhibits an outstanding PCE of 17.06% and an impressive fill factor (FF) of 0.772. Our results improve understanding of the structure-property relationship for state-of-the-art SMAs and demonstrate that modulating the structure of SMAs via fine-tuning of alkyl-chains branching positions is an effective method to enhance their performance.
关键词： power conversion efficiency,fill factor,small molecular acceptor,alkyl-chain branching position,organic solar cell
更新于2025-09-23 15:19:57
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Correlated alkyl chain length to defect passivation efficacy in perovskite solar cells
摘要： We for the first time correlated the alkyl chain length of amine molecules to the defect passivation efficacy, either on surface or at grain boundaries of perovskite films. Blade-coated perovskite solar cells with long-chain amines passivation achieved an efficiency of 21.5%, accompanied by a small voltage loss of 0.35 V.
关键词： efficiency,defect passivation,blade-coating,alkyl chain length,perovskite solar cells
更新于2025-09-23 15:19:57
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Alkyl Chain Tuning of Small Molecule Acceptors for Efficient Organic Solar Cells
摘要： A new non-fullerene acceptor, named N3, was developed by using a 3rd-position branched alkyl chain on the pyrrole motif of the molecule, which yielded better performance than the state-of-the-art acceptor Y6. Ternary devices were fabricated, achieving a power conversion efficiency of 16.74% in the lab and a certified efficiency of 16.42% by Newport.
关键词： power conversion efficiency,ternary strategy,non-fullerene acceptor,alkyl chain tuning,organic solar cells
更新于2025-09-19 17:13:59
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Orientation-Controlled Bioconjugation of Antibodies to Silver Nanoparticles
摘要： Here we report on the use of heterobifunctional cross-linkers (HBCLs) to control the number, orientation, and activity of immunoglobulin G antibodies (Abs) conjugated to silver nanoparticles (AgNPs). A hydrazone conjugation method resulted in exclusive modification of the polysaccharide chains present on the fragment crystallizable region of the Abs, leaving the antigen-binding regions accessible. Two HBCLs, each having a hydrazide terminal group, were synthesized and tested for effectiveness. The two HBCLs differed in two respects, however: (1) either a thiol or a dithiolane group was used for attachment to the AgNP; and (2) the spacer arm was either a PEG chain or an alkyl chain. Both cross-linkers immobilized 5 ± 1 Abs on the surface of each 20-nm-diameter AgNP. Electrochemical results, obtained using a half-metalloimmunoassay, proved that Abs conjugated to AgNPs via either of the two HBCLs were 4 times more active than those conjugated by the more common physisorption technique. This finding confirmed that the HBCLs exerted orientational control over the Abs. We also demonstrated that the AgNP-HBCL-Ab conjugates were stable and active for at least 2 weeks. Finally, we found that the stability of the HBCLs themselves was related to the nature of their spacer arms. Specifically, the results showed that the HBCL having the alkyl chain is chemically stable for at least 90 days, making it the preferred cross-linker for bioassays.
关键词： alkyl chain,antigen-binding regions,heterobifunctional cross-linkers,PEG chain,hydrazone conjugation,physisorption technique,immunoglobulin G antibodies,silver nanoparticles,half-metalloimmunoassay,fragment crystallizable region
更新于2025-09-12 10:27:22