After decades of development, ionic liquid gel polymer electrolytes (ILGPEs) are currently experiencing a renaissance as a promising electrolyte to be used in electrochemical devices. Their inherent tendency towards poor electrochemical properties have limited their applications and commercialization activities. Henceforth, gel polymer electrolyte (GPE) is being introduced to alleviate the abovementioned issues. In this work, the assessment of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF₄] in poly (vinylidene fluoride-hexafluoropropylene) (PVDF-HFP) to form ILGPE was done. The relationship of [BMIM][BF₄] towards the dielectric properties at different wt. % ratios and temperature was ascertained. The results indicated that [BMIM]BF₄ is able to facilitate fast conduction. Moreover, it was found that [BMIM][BF₄] could serve as an effective agent in reducing crystallinity and glass transition temperature of the polymer and thus enhanced the ionic conductivity of the samples. Notwithstanding, the ILGPE sample possessed a high thermal stability up to 300 °C and good electrochemical stability of 4.2 V which are beneficial for operation in electrochemical devices. All in all, the correlation between the ionic liquid chemistry and electrochemical performances could provide a valuable insight to rational selection and design for ILGPE electrolytes.

A free standing polymer electrolytes films, containing poly(glycidyl methacrylate) (PGMA) as the polymer host, lithium perchlorate (LiClO4), and ionic liquid 1-butyl-3-methylimidazolium...

Noncovalent interactions, such as dispersion, play a significant role in the stability of flexible molecules, such as curcumin. This study revealed the importance of dispersion correction in the structure and keto-enol tautomerization of curcumin, which has rarely been addressed in computational studies. We rigorously constructed all possible unique curcumin conformers in the enol and keto forms within the first-principles framework. Regardless of the different environments, we carefully explained the agreement between the computational geometry (in the gas phase) and the experimental measurement (in the polymorph) by using dispersion correction. The calculation results for the aqueous solution of conformational abundance, thermochemistry, and reaction kinetics support the experimental observations after considering the dispersion correction. The study also suggests a water-catalyzed mechanism for keto-enol tautomerization, where dispersion correction plays a role in decreasing the energy barrier and making the keto form thermochemically and kinetically favorable. Our results could be helpful in future computational studies to find a method for increasing the aqueous solubility of curcumin; hence, the potential of curcumin as a multifunctional medicine can be fully achieved.

In the present work we report on the development of a novel and sustainable electrolyte based on chitin. Chitin biopolymer was carboxymethylated in simple, mild, and green conditions in order to fine-tune the final properties of the electrolyte. To this end, chitin was modified for various reaction times, while the molar ratio of the reagents, e.g., sodium hydroxide and monochloroacetic acid, was maintained fixed. The resulting chitin derivatives were characterized using various techniques. Under optimized conditions, modified chitin derivatives exhibiting a distinct degree of carboxymethylation and acetylation were obtained. Structural features, morphology, and properties are discussed in relation to the chemical structure of the chitin derivatives. For electrolyte applications, the ionic conductivity increased by three magnitudes from 10⁻⁹ S·cm⁻¹ for unmodified chitin to 10⁻⁶ S·cm⁻¹ for modified chitin with the highest degree of acetylation. Interestingly, the chitin derivatives formed free-standing films with and without the addition of up to 60% of ionic liquid, the ionic conductivity of the obtained solid electrolyte system reaching the value of 10⁻³ S·cm⁻¹.

Titanium dioxide (TiO₂) nanoparticle was achieved in an alternative sol-gel route, as involved in 1 M acidic solution: HCl-tetrahydrofuran (HCl-THF), HNO₃-tetrahydrofuran (HNO₃-THF), and ClHNO₂-tetrahydrofuran (ClHNO₂-THF) solution. Resultant TiO₂ nanoparticle was further investigated in a systematic analytical approach. Nanoscale TiO₂ structure was observed at a moderate hydrolysis ratio (8≤RH≤16). Particle size range was much narrower in an aprotic HNO₃-THF medium, as compared to a differential HCl-THF medium. Biphasic TiO₂ structure was detected at a certain hydrolysis ratio (RH≥16). Even so, relative anatase content was rather insignificant in an aprotic HCl-THF medium, as compared to a differential HNO₃-THF medium. Tetragonal TiO₂ structure was observed in the entire hydrolysis ratio (4≤RH≤32). Interstitial lattice defect was evident in an aprotic HNO₃-THF medium but absent in a differential ClHNO₂-THF medium.