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Most materials recently developed for room temperature phosphorescence (RTP) lack of practical relevance due to their inconvenient crystalline morphology. Using amorphous material systems instead, programmable luminescent tags (PLTs) based…
Simple, yet versatile, methods to functionalize graphene flakes with metal (oxide) nanoparticles are in demand, particularly for the development of advanced catalysts. Herein, based on light-induced electrochemistry, a laser-assisted,…
Considering the density-density correlation function of a concentrated polymer solution with multicomponent solvent we find a phase transition due to the heterogeneity of excluded volume constant. This new phase transition implies a strong…
Most polymers are long-lasting and produced from monomers derived from fossil fuel sources. Bio-based and/or biodegradable plastics have been proposed as a sustainable alternative. Amongst those available, polyhydroxyalkanoate (PHA) shows…
Hydrothermal liquefaction could potentially utilize mixed plastic wastes for sustainable biocrude production, however the fate of plastics under HTL is largely unexplored for the same reaction conditions. In this study, we evaluate how…
In this study, we propose a theoretical framework to investigate the interactions between flexible polymer chains, specifically polyelectrolytes (PEs). By calculating the system's free energy while considering position-dependent mutual…
In this manuscript we present a computational study on the photoluminescence properties of several heteroleptic [Ru(H)(CO)(N^N)(tpp)2]+ complexes (tpp = triphenylphosphine). A special focus is set on disentangling the temperature-dependent…
Thermally conductive polymers are of fundamental interest and can also be exploited in thermal management applications. Recent studies have shown stretched polymers can achieve high thermal conductivity. However, the transport mechanisms of…
Quasi all water soluble composites use graphene oxide (GO) or reduced graphene oxide (rGO) as graphene based additives despite the long and harsh conditions required for their preparation. Herein, polyvinyl alcohol (PVA) films containing…
We investigate the relaxation behavior of thin films of a polyamide random copolymer, PA66/6I, with various film thicknesses using dielectric relaxation spectroscopy. Two dielectric signals are observed at high temperatures, the…
Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between…
In response to the growing demand for more efficient and compact refrigeration and energy conversion devices, electrocaloric poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) is among the most promising active substances.…
Metal mixed polymers are a cheap and effective way to produce flexible metals and superconductors. As part of an on-going effort to learn how to tune the properties of these systems with ion implantation, we present a study of the…
The glass transition in amorphous poly(ethylene terephthalate) is studied by thermally stimulated depolarization currents (TSDC) and differential scanning calorimetry (DSC). The ability of TSDC to decompose a distributed relaxation, as the…
The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…
Many thermo-mechanical processes, such as thermal expansion and stress relaxation, originate at the atomistic scale. We develop a sequential multiscale approach to study thermally stressed superelastic polyimide to explore these effects.…
We have calculated numerically electron exchange, correlation energies and dynamical polarization function for newly discovered silicene, germanene and black phosphorus (BP), consisting of puckered layers of elemental phosphorus atoms,…
Using Couette and Poiseuille flow, we extract the temperature dependence of the slip length, $\delta$, from molecular dynamics simulations of a coarse-grained polymer model in contact with an attractive, corrugated surface. $\delta$ is…
An analysis of glass formation for polymer melts that are diluted by structured molecular additives is derived by using the generalized entropy theory, which involves a combination of the Adam-Gibbs model and the direct computation of the…
In this research, we present a simple and cost effective soft lithographic process to fabricate PLA scaffolds for tissue engineering. In which, the negative photoresist JSR THB-120N was spun on a glass subtract followed by conventional UV…