Poly(9,9-di--octylfluorene) (PFO) is a promising material for polymer light-emitting diodes (PLEDs) due to its advantageous properties. To enhance its electron transporting capabilities, diblock polymers were synthesized by attaching polystyrene (PSt) chains of varying lengths to one end of the PFO molecule. In a comparative study with PFO homopolymer, the diblock polymers maintained similar thermal properties, absorption spectra, and photoluminescent stability, while exhibiting slightly deeper lowest unoccupied molecular orbital (LUMO) levels and higher crystallinity. Notably, diblock polymers with shorter polystyrene blocks demonstrated higher electron mobility than the PFO homopolymer and diblock polymers with excessively long polystyrene blocks. These findings suggest that the optimal chain length of the polystyrene block is crucial for maximizing electron mobility, thus offering valuable insights for designing high-performance PLED materials.
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http://dx.doi.org/10.3390/ma17112694 | DOI Listing |
J Chem Phys
January 2025
School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, China.
Diblock copolyelectrolytes have significant potential in applications such as solid-state single-ion conductors, but precisely controlling their nanostructures for efficient ion transport remains a challenge. In this study, we explore the phase behavior and microphase transitions of AX BY-type diblock copolyelectrolytes under alternating electric fields using coarse-grained molecular dynamics simulations. We systematically investigate the effects of various electric field features, including unipolar and bipolar square-waves, as well as offset and non-offset sine-waves, focusing on how field strength and period influence the self-assembling morphology of the copolyelectrolytes.
View Article and Find Full Text PDFACS Macro Lett
January 2025
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, United States.
Poly(lactide) (PLA) is a promising biodegradable polymer with potential applications in single-use packaging. However, its use is limited by brittleness, and its biodegradability is restricted to industrial compost conditions due in part to an elevated glass transition temperature (). We previously showed that addition of a poly(ethylene-oxide)--poly(butylene oxide) diblock copolymer (PEO-PBO) forms macrophase-separated rubbery domains in PLA that can impart significant toughness at only 5 wt %.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 2024
ETH Zurich, Materials, Vladimir-Prelog-Weg 1-5/10, 8093, Zürich, SWITZERLAND.
Photoiniferter (PI) is a promising polymerization methodology, often used to overcome restrictions posed by thermal reversible addition-fragmentation chain-transfer (RAFT) polymerization. However, in the overwhelming majority of reports, high energy UV irradiation is required to effectively trigger photolysis of RAFT agents and facilitate the polymerization, significantly limiting its potential, scope, and applicability. Although visible light PI has emerged as a highly attractive alternative, most current approaches are limited to the synthesis of lower molecular weight polymers, and typically suffer from prolonged reaction times, extended induction periods, and higher dispersities.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Department of Industrial and Materials Science, Chalmers University of Technology, SE-412 58 Gothenburg, Sweden.
The full exploitation of the outstanding mechanical properties of cellulose nanofibrils (CNFs) as potential reinforcements in nanocomposite materials is limited by the poor interactions at the CNF-polymer matrix interface. Within this work, tailor-made copolymers were designed to mediate the interface between CNFs and biodegradable poly(butylene adipate--terephthalate) (PBAT), and their effect on extruded nanocomposite performance was tested. For this purpose, two well-defined amphiphilic anchor-tail diblock copolymer structures were compared, with a fixed anchor block length and a large difference in the hydrophobic tail block length.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA.
Field-theoretic simulations are numerical methods for polymer field theory, which include fluctuation corrections beyond the mean-field level, successfully capturing various mesoscopic phenomena. Most field-theoretic simulations of polymeric fluids use the auxiliary field (AF) theory framework, which employs Hubbard-Stratonovich transformations for the particle-to-field conversion. Nonetheless, the Hubbard-Stratonovich transformation imposes significant limitations on the functional form of the non-bonded potentials.
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