Related papers: Templated synthesis of cyclic poly(ionic liquid)s
The fundamental understanding of intermolecular interactions of ionic liquids with water represents a vital extent in predicting ionic liquid properties. Intermolecular or noncovalent interactions were studied for 1,3-dimethyl imidazolium…
The synthesis of ternary acetylides Li2TeC2 and Na2TeC2 is presented as the first example of ternary acetylides with metalloid elements instead of transition metals. The synthesis was carried out by the direct reaction of the corresponding…
Cyclopentadiene (c-C5H6) is considered a key molecule in the formation of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM). The synthesis of PAHs from simpler precursors is known as the "bottom-up" theory, which, so…
Polyelectrolytes are commonly used to chelate multi-valent ions in aqueous solutions, playing a critical role in water softening and the prevention of mineralization. At sufficient ionic strength, ion-mediated…
An innovative method is proposed to generate configurations of coarse grained models for polymer melts. This method, largely inspired by chemical ``radical polymerization'', is divided in three stages: (i) nucleation of radicals (reacting…
Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…
Recent advancements in the domain of text-to-image synthesis have culminated in a multitude of enhancements pertaining to quality, fidelity, and diversity. Contemporary techniques enable the generation of highly intricate visuals which…
A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials…
Template directed replication of nucleic acids is at the essence of all living beings and a major milestone for any origin of life scenario. We here present an idealized model of prebiotic sequence replication, where binary polymers act as…
The exceptional physicochemical properties and versatile biological activities of ionic liquids (ILs) have propelled their potential applications in various industries, including pharmaceuticals and green chemistry. However, their…
The formation of chain-folded structures from the melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent melting temperatures are related linearly to the inverse…
We develop a theory for the description of ionic liquids (ILs) confined in a porous medium formed by a matrix of immobile randomly placed uncharged particles. The IL is modelled as an electroneutral mixture of hardsphere anions and flexible…
PCPDTBT nanostructures have been synthesized via template-assisted method and polymer-melt technique. The morphological, optical and structural properties of the PCPDTBT have been investigated. Melting polymer was used as a driving force to…
Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is effective in dilute conditions but breaks down at higher…
We use molecular dynamics simulations to unravel the physics underpinning the light-induced density changes caused by the dynamic trans-cis-trans isomerization cycles of azo-mesogens embedded in a liquid crystal polymer network, an…
Synchronization induced by long-range hydrodynamic interactions is attracting attention as a candidate mechanism behind coordinated beating of cilia and flagella. Here we consider a minimal model of hydrodynamic synchronization in the low…
We report an electron-beam based method for the nanoscale patterning of the poly(ethylene oxide)/LiClO$_{4}$ polymer electrolyte. We use the patterned polymer electrolyte as a high capacitance gate dielectric in single nanowire transistors…
Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore,…
In recent years, there has been a renewed interest in complex coacervation, driven by concerted efforts to offer novel experimental and theoretical insights into electrostatic charge-induced association. While previous studies have…
The scarcity of viable electrode and electrolyte materials vastly hinders the advancement of magnesium and calcium batteries. This study utilises solid-state metathetical reactions involving chalcogen- and pnictogen-based honeycomb layered…