Enhanced Microstructural Uniformity in Sulfuric-Acid-Treated Poly(3,4-Ethylenedioxythiophene):Poly(Styrene Sulfonate) Films Using Raman Map Analysis.

Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) films have emerged as potential alternatives to indium-tin oxide as transparent electrodes in optoelectronic devices because of their superior transparency, flexibility, and chemical doping stability. However, pristine PEDOT:PSS films show low conductivities because the insulating PSS-rich domains isolate the conductive PEDOT-rich domains. In this study, the conductivities and corresponding spatially resolved Raman properties of PEDOT:PSS thin films treated with various concentrations of H2SO4 are presented. After the PEDOT:PSS films are treated with the H2SO4 solutions, their electrical conductivities are significantly improved from 0.5 (nontreated) to 4358 S cm-1 (100% v/v). Raman heat maps of the peak shifts and widths of the Cα═Cß stretching mode are constructed. A blueshift and width decrease of the Cα═Cß Raman mode in PEDOT are uniformly observed in the entire measurement area (20 × 20 µm2), indicating that microstructural transitions are successfully accomplished across the area from the coiled to linear conformation and high crystallinity upon H2SO4 treatment. Thus, it is proved that comprehensive Raman map analysis can be easily utilized to clarify microstructural properties distributed in large areas induced by various dopants. These results also offer valuable insights for evaluating and optimizing the performance of other conductive thin films.

Long-term Comparisons of Photoluminescence Affected by Organic Cations of Formamidinium and Methylammonium in Monophasic Lead Iodide Perovskite Quantum Dots.

This study compared the photoluminescence (PL) stabilities of formamidinium (FA) and methylammonium (MA) in lead iodide perovskite quantum dots (QDs). To exclude other factors, such as size and purity, that may affect stability, MAPbI3 and FAPbI3 QDs with nearly identical sizes (~10.0 nm) were synthesized by controlling the ligand concentration and synthesis temperature. Transmission electron microscopy images and X-ray diffraction patterns confirmed homogeneous single-phase perovskite structures. Additionally, the bandgaps and sizes of the synthesized QDs closely matched those of the infinite quantum well model, which guaranteed that the photostability was solely caused by the different organic molecules in the two QDs. We analyzed the PL peak centers and full-width at half maximum of the QDs for 32 days. The enhanced stability of FAPbI3 was found to be caused by the nearly zero redshift (1.615 eV) of its PL peak, in contrast to the redshift (1.685→1.670 eV) of that of MAPbI3.

High-performance sulfonated polyether sulfone/chitosan membrane on creatinine transport improved by lithium chloride.

Membrane-based polyether sulfone (PES) is a potential candidate for hemodialysis because of its properties such as high mechanical strength, thermal stability, and chemical resistance. However, the nature of the hydrophobicity in the PES membrane inhibits their performance in transporting creatinine. In this study, polyethersulfone (PES) membranes were modified using a sulfonation process and the addition of chitosan (CS) and lithium chloride (LiCl) to improve its performance in transporting creatinine. The FTIR spectrum of the modified membrane shows peaks of the sulfonate (-SO2), amine (NH), and hydroxyl (-OH) groups in absorption areas of 1065 cm-1, 1650 cm-1, and 3384 cm-1, respectively, indicating that the membrane SPES/CS-LiCl has been successfully prepared. The modified PES membranes shows a higher porosity, swelling, water absorption, and hydrophilicity than pure PES membrane. The modification of the PES membrane in this study also enhances the ability of the membrane to transport creatinine. In the pure PES membrane, the creatinine clearance is 0.30 mg/dL, while in the SPES/CS-LiCl (5:2) membrane the creatinine clearance is 0.42 mg/dL.

Synthesis and characterization of chitosan/polyvinyl alcohol immersed in sodium hydroxide thin film as a heterogeneous catalyst in biodiesel production.

Biodiesel is a potential renewable energy source that can be used to replace fossil fuels because of its low toxicity, biodegradability, and renewability. However, biodiesel production requires long reaction times. Hence, a catalyst is needed to speed up the reaction and optimize production conditions. CS/PVA thin film catalyst immersed in NaOH has intriguing catalytic properties that can improve biodiesel conversion efficiency. In this paper, a series of chitosan/polyvinyl alcohol­sodium hydroxide (CS/PVA-NaOH) thin films have been prepared as heterogeneous catalysts in biodiesel production. According to the FTIR spectra data, It shows that the vibrational frequency of the hydroxyl group (-OH) shifted from 3271 cm-1 to 3290 cm-1, indicating the hydrogen bond interaction between chitosan and PVA. Water uptake (45.42-218.64 %), swelling (120.63-142.99 %), porosity (62.67-243.43 %), and the durability of the thin film at pH conditions of 5-11 have been found to be the physicochemical characteristics of blended Chitosan/PVA (4/1; 3/2; 2.5/2.5; 2/3; 1/4 (v/v)). The optimal conditions for producing biodiesel were found to be around 65 °C for 90 min with an oil: methanol molar ratio of 1:7. By using a heterogeneous catalyst of CS/PVA-NaOH, the conversion efficiency from oil to biodiesel was achieved at around 95.39-99.52 %.

Quantum Chemical Calculation for Intermolecular Interactions of Alginate Dimer-Water Molecules.

The abundance of applications of alginates in aqueous surroundings created by their interactions with water is a fascinating area of research. In this paper, computational analysis was used to evaluate the conformation, hydrogen bond network, and stabilities for putative intermolecular interactions between alginate dimers and water molecules. Two structural forms of alginate (alginic acid, alg, and sodium alginate, SA) were evaluated for their interactions with water molecules. The density functional theory (DFT-D3) method at the B3LYP functional and the basis set 6-31++G** was chosen for calculating the data. Hydrogen bonds were formed in the Alg-(H2O)n complexes, while the SA-(H2O)n complexes showed an increase in Van der Walls interactions and hydrogen bonds. Moreover, in the SA-(H2O)n complexes, metal-nonmetal bonds existed between the sodium atom in SA and the oxygen atom in water (Na…O). All computational data in this study demonstrated that alginate dimers and water molecules had moderate to high levels of interaction, giving more stability to their complex structure.

The validation of molecular interaction among dimer chitosan with urea and creatinine using density functional theory: In application for hemodyalisis membrane.

The formation of chitosan dimer and its interaction with urea and creatinine have been investigated at the density functional theory (DFT) level (B3LYP-D3/6-31++G**) to study the transport phenomena in hemodialysis membrane. The interaction energy of chitosan-creatinine and chitosan-urea complexes are in range -4 kcal/mol < interaction energy <-20 kcal/mol which were classified in medium hydrogen bond interaction. The chemical reactivity parameter proved that creatinine was more electrophilic and easier to bind chitosan than urea. The energy gap of HOMO-LUMO of chitosan-creatinine complex was lower than chitosan-urea complex that indicating chitosan-creatinine complex was more reactive and easier to transport electron than chitosan-urea complex. Moreover, the natural bond orbital (NBO) analysis showed a high contribution of hydrogen bond between chitosan-creatinine and chitosan-urea. The chitosan-creatinine interaction has a stronger hydrogen bond than chitosan-urea through the interaction O18-H34....N56 with stabilizing energy = -13 kcal/mol. The quantum theory atom in molecule (QTAIM) also supported NBO data. All data presented that creatinine can make hydrogen bond interaction stronger with chitosan than urea, that indicated creatinine easier to transport in the chitosan membrane than urea during hemodialysis process.

Permeability improvement of polyethersulfone-polietylene glycol (PEG-PES) flat sheet type membranes by tripolyphosphate-crosslinked chitosan (TPP-CS) coating.

In this study, improvement of urea and creatinine permeability of polyethersulfone (PES) membrane by coating with synthesized tripolyphosphate-crosslinked chitosan (TPP-CS) has been conducted. Original and modified membranes, e.g. pristine PES, polyethersulfone-polyethylene glycol (PES-PEG) and PES-PEG/TPP-CS membranes were characterized using FTIR, DTG, SEM, AFM, water uptake, contact angles, porosity measurement, tensile strength test and permeation tests against urea and creatinine. The results show that the PES modification by TPP-CS coating has been successfully carried out. The water uptake ability, hydrophilicity and porosity of the modified membranes increase significantly to a greater degree. All modified membranes have good thermal stability and tensile strength and their permeation ability towards urea and creatinine increase with the increasing concentration of TPP-CS. PES membrane has urea clearance ability of 7.36 mg/dL and creatinine of 0.014 mg/dL; membrane PES-PEG shows urea clearance of 11.87 mg/dL and creatinine of 0.32 mg/dL; while PES-PEG/TPP-CS membrane gives urea clearance of 20.87-36.40 mg/dL and creatinine in the range of 0.52-0.78 mg/dL. These results suggest that the PES-PEG membrane coated with TPP-CS is superior and can be used as potential material for hemodialysis membrane.