Laser performance and investigation of the optimal density functional and the dependence of the basis sets for (E, E)-2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) molecule

This manuscript includes some photophysical parameters and some optical properties such as absorption and emission spectra of the (E, E)-2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) by applying sol–gel and copolymer matrices. The BDP molecular structure is incorporated in sol–gel matrix and copolymer of methyl methacrylate (MMA) and 2-hydroxyethyl methacrylate (HEMA). In case of sol–gel matrix, the BDP molecular structure has higher quantum yield in addition to photostability maxima. The laser behavior of this molecular structure containing sol–gel matrix is good senior compared to copolymer one via using diode laser (450 nm) as pumping laser of power 160 mW. Also, the fluorescence profile of the BDP molecular structure is sensitized via using cadmium sulfide (CdS) quantum dots (QDs) by applying sol–gel host. The optimized structure of the BDP molecule is obtained via applying B3LYP/6-31G(d) level of theory. The electronic absorption and emission spectra of the BDP molecular structure in ethanol solvent were calculated using time-dependent density functional theory (TDDFT) at CAM-B3LYP/6-31G + + (d, p) level. The obtained theoretical results were compared to experimental ones.

Dispersion of Few-Layer Black Phosphorus in Binary Polymer Blend and Block Copolymer Matrices

Exfoliated black phosphorus (bP) embedded into a polymer is preserved from oxidation, is stable to air, light, and humidity, and can be further processed into devices without degrading its properties. Most of the examples of exfoliated bP/polymer composites involve a single polymer matrix. Herein, we report the preparation of biphasic polystyrene/poly(methyl methacrylate) (50/50 wt.%) composites containing few-layer black phosphorus (fl-bP) (0.6–1 wt.%) produced by sonicated-assisted liquid-phase exfoliation. Micro-Raman spectroscopy confirmed the integrity of fl-bP, while scanning electron microscopy evidenced the influence of fl-bP into the coalescence of polymeric phases. Furthermore, the topography of thin films analyzed by atomic force microscopy confirmed the effect of fl-bP into the PS dewetting, and the selective PS etching of thin films revealed the presence of fl-bP flakes. Finally, a block copolymer/fl-bP composite (1.2 wt.%) was prepared via in situ reversible addition–fragmentation chain transfer (RAFT) polymerization by sonication-assisted exfoliation of bP into styrene. For this sample, 31P solid-state NMR and Raman spectroscopy confirmed an excellent preservation of bP structure.

FORMATION OF NICKEL NANOPARTICLES IN SOLUTIONS OF A HYDROPHILIC GRAFT COPOLYMER

A graft copolymer of poly(vinyl alcohol) and polyacrylamide (PVA-g-PAAm) with interacting main and grafted chains was synthesized by radical matrix polymerization of PAAm from the PVA backbone in an aqueous medium. Its basic molecular parameters including the number and length (molecular weight) of grafts were determined using elemental analysis, DTGA and viscometry. The copolymer macromolecules formed special monomolecular micelles of elipsoidal shape and length ~18-64 nm in aqueous solutions due to the formation of intramolecular polycomplexes between the main and grafted chains. This copolymer was used as a hydrophilic matrix for the in situ synthesis of nickel nanoparticles (NiNPs) in aqueous solutions.On the basis of UV-Vis spectroscopy, an original and simple method for monitoring the kinetics of the formation and yield of metal nanoparticles in systems in which a surface plasmon resonance band does not appear has been proposed and implemented. Using this approach, the kinetics of borohydride reduction of Ni-salt to NiNPs in pure water and PVA-g-PAAm solutions was studied depending on the concentrations of Ni-salt and copolymer matrices. An increase in the initial rate of accumulation and yield of NiNPs with an increase in the concentration of Ni-salt and a decrease in both parameters in copolymer solutions in comparison with pure water was established. At the same time, the accumulation rate and NiNP yield in a complex way was depended on the matrix concentration that was determined by the ratio of such factors as a decrease in the diffusion rate of NaBH4 molecules in copolymer solutions and the accumulation of Ni2+-ions in matrix particles due to complexation with active chemical groups at the first stage of reduction process. The morphology and main structural elements of the NiNPs/PVA-g-PAAm composition were revealed using TEM. It was shown that the in situ synthesis of NiNPs in copolymer matrices was accompanied by the “detachment” of PAAm grafts from the main PVA chains and led to the appearance of two new structures, such as “hairy coils” and “hairy rods”, containing small spherical NiNPs (d~0,5–12,0 nm) in isolated and chain states, respectively. The appearance of the latter structures was explained by the formation of coordination complexes of Ni2+-ions with active groups of both PVA and PAAm chains at the first stage of the reduction reaction.

Laser Performance and Investigation the Optimal Density Functional and the Dependence of the Basis Sets for (E, E)-2, 5-bis (3, 4-Dimethoxystyryl) Pyrazine (BDP) Molecule.

This manuscript includes some photophysical parameters and some optical properties such as absorption and emission spectra of the (E, E)- 2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) by applying sol-gel and copolymer matrices. The BDP molecular structure is incorporated in sol-gel matrix and copolymer of methyl methacrylate (MMA) and 2-hydroxy metylmethacrylate (HEMA). In case of sol-gel matrix, the BDP molecular structure has higher quantum yield in addition to photostability maxima. The laser behavior of this molecular structure containing sol-gel matrix is good senior compared to copolymer one via using diode laser (450nm) as pumping laser of power 160 mW. Also, the fluorescence profile of the BDP molecular structure is sensitized via using cadmium sulphide (CdS) quantum dots (QDs) by applying sol-gel host. The optimized structure of the BDP molecule is obtained via applying B3LYP/6-31G(d) level of theory. The electronic absorption and emission spectra of the BDP molecular structure in ethanol solvent, were calculated using time dependent density functional theory (TDDFT) at CAM-B3LYP /6-31G++(d, p) level. The obtained theoretical results were compared to experimental ones.

Study of the anticorrosive properties of magnetic composites

Metal corrosion affects various sectors: construction, ships, pipes in the chemical industry, etc. Organic materials have been used as coatings to counteract it; recently improvements have been observed when magnetic polymers are used. These are materials formed by a polymeric matrix and a metal with magnetic properties, such as magnetic nanoparticles. The metal is sacrificed, preventing contact with the surface. Here we show the results of composites formed by magnetic nanoparticles of cobalt ferrite and magnetite obtained by coprecipitation, immersed in polystyrene, butyl polyacrylate and styrene-butyl acrylate copolymer matrices. The nanoparticles were incorporated by ultrasonic bath using different weights of nanoparticles (0.05%, 0.25%, 0.5% and 1%) using toluene as solvent. There is an acceptable dispersion of the nanoparticles in the polyacrylate and copolymer after 4 hours of cavitation, the styrene had acceptable dispersion after 5 hours. The composites were tested on a 316 Cal. 14 stainless steel film of 6 cm2 area, the specimens were dipped in acid to evaluate the corrosion protection with electrochemical techniques, having good results in the ferrite and magnetite composites where the protection capacity was better in the styrene-butyl acrylate copolymer.

Ethylene-Octene-Copolymer with Embedded Carbon and Organic Conductive Nanostructures for Thermoelectric Applications

Hybrid thermoelectric composites consisting of organic ethylene-octene-copolymer matrices (EOC) and embedded inorganic pristine and functionalized multiwalled carbon nanotubes, carbon nanofibers or organic polyaniline and polypyrrole particles were used to form conductive nanostructures with thermoelectric properties, which at the same time had sufficient strength, elasticity, and stability. Oxygen doping of carbon nanotubes increased the concentration of carboxyl and C–O functional groups on the nanotube surfaces and enhanced the thermoelectric power of the respective composites by up to 150%. A thermocouple assembled from EOC composites generated electric current by heat supplied with a mere short touch of the finger. A practical application of this thermocouple was provided by a self-powered vapor sensor, for operation of which an electric current in the range of microvolts sufficed, and was readily induced by (waste) heat. The heat-induced energy ensured the functioning of this novel sensor device, which converted chemical signals elicited by the presence of heptane vapors to the electrical domain through the resistance changes of the comprising EOC composites.

Hybrid fluorescent liquid crystalline composites: directed assembly of quantum dots in liquid crystalline block copolymer matrices

Spatial distribution of QDs within hybrid composite films was programed by varying the molecular architecture of the host LC block copolymers.

Thermal Properties between SAN and ABS Copolymer Matrices Blended with PTFE Polymer Particle Composites

Styrene Acrylonitrile (SAN) copolymer has styrene with high expanded durability and finds some useful applications. Applications involving replacement of metal by plastics due to light-weight, high quality and firmness attributes were seen. But they are limited as they cannot withstand higher temperature applications. PTFE that finds a perfect filler material has high temperature ability, self-greasing up, high chemical inertness, low friction, corrosion resistance, low outgassing properties. Injection molding process helped addition of copolymers of SAN and ABS to 10% PTFE by weight, 20% PTFE by weight blends and composite samples were prepared successfully using the melt condition. Experimental results show PTFE filler added composites exhibiting improved thermal conductivities and coefficient of linear thermal expansion.

A lithium carboxylate grafted dendrite-free polymer electrolyte for an all-solid-state lithium-ion battery

A novel solid polymer electrolyte was designed and synthesized based on a hybrid copolymer matrices grafting with lithium carboxylate branched chains, which ensures a homogeneous Li ion deposition and successfully inhibits the Li dendrite growth.