Search results for "Note"
showing 10 items of 10709 documents
Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series
2016
Made available in DSpace on 2018-12-11T17:26:45Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-01 The performance of different DFT functionals (B3LYP, BHLYP, CAM-B3LYP, M06HF) on the prediction of vertical transition energies Evert of low bandgap homopolymers is tested against the experimentally available oligomer series (thienopyrazines and thienothiophenes). This allows for a detailed and accurate comparison on the consistency of DFT methods for chainlength evolution and polymer limit prediction, and for an understanding of geometry and time-dependent contributions to Evert by combinatorial analysis. Together with former studies on wide/medium bandgap polymers and low bandgap c…
Fractional viscoelastic characterization of laminated glass beams under time-varying loading
2021
Abstract Laminated glass is a composite made of elastic glass layers sandwiching thin viscoelastic polymeric interlayers. There are several types of polymers, traditionally modelled as linear viscoelastic materials using a Prony’s series of units in the Maxwell-Wiechert arrangement. We show that one single element with fractional viscoelastic properties (two constitutive parameters that depend on environmental temperature), is sufficient to provide an accurate description of the polymer response under arbitrary time-varying actions. This is a great advantage over the classical viscoelastic characterization, which requires at least 10–15 terms in the Prony’s series, each one characterized by…
Modern trends in solid phase extraction: New sorbent media
2016
Abstract Based on the recently published literature, this review provides an update of the most important features and application of formats and devices employed in solid phase extraction (SPE). Special attention was paid on new trapping media proposed in SPE prior the chromatography analysis, based on the use of nanostructured materials, including carbon nanomaterials, electrospun nanofibers, dendrimes and magnetic nanoparticles, molecular recognition sorbents, as aptamers, immunosorbents, molecular imprinted polymers, ion imprinting polymers, metal-organic frameworks and restricted access materials. Discussions on the present limitations as well as expected future trends of the new trapp…
Molecular spintronics: the role of coordination chemistry.
2016
Welcome to this themed issue of Dalton Transactions entitled ‘Molecular spintronics: the role of coordination chemistry’.
Thermal and viscoelastic properties of entangled supramolecular polymer networks as a powerful tool for prediction of their microstructure
2018
Abstract Thermal and viscoelastic properties of entangled supramolecular polymer networks, SPNs, depend strongly on binary and collective assembly of associative groups. The collective assemblies can phase separate from polymer matrix chains and form domains with different sizes and shapes, which have different melting point transitions. By increasing content of associative groups along the polymer chains, their high-order association leads to formation of domains, which have higher melting temperatures than other ones. We prepared a SPN system that contains three networks. All networks have similar precursor polymer backbone, but different content of ureidopyrimidinone, UPy, moiety as stro…
Natural Anti-oxidants for Bio-polymeric Materials
2017
In this work, three different bio-polymers, i.e. a commercial starch-based polymer (Mater-Bi®) a bio-polyester (PLA), and a bio-polyether (PEO) were additivated with quercetin, a natural flavonoid antioxidants, in order to formulate biobased films for eco-sustainable packaging and outdoor applications. The photo-oxidation behavior of unstabilized and quercetin stabilized films has been evaluated and compared with that of films additivated with a commercial synthetic light stabilizer. Obtained results show that quercetin molecules are able to slow down the photodegradation rate of all investigated bio-polymeric films, opening new avenues in the formulation of fully renewable polymer-based sy…
Stimuli-Responsive Y-Shaped Polymer Brushes Based on Junction-Point-Reactive Block Copolymers
2012
Reversibly responsive, thin or ultrathin polymer fi lms, often referred to as “smart surfaces”, can alter their properties upon application of external stimuli. [ 1 , 2 ] One particular application fi eld represents the engineering of nanostructured fi lms mimicking cell membranes. [ 3 , 4 ] Such materials offer application potential for sensors, textiles, construction materials, and smart coatings due to a rapid change in surface energy and morphology. [ 5–7 ] The surface response can be triggered by various external stimuli such as light, temperature, electrical potential, mechanical force, magnetic fi eld, pH change, or selective solvent treatment. [ 1 , 8–12 ] A variety of different thi…
Colloidal stability and self-assembling behavior of nanoclays
2020
Abstract Currently, nanoclays are attracting the attention of a wide part of the scientific community, due to some of their most peculiar features that make them good candidates for applications in different fields. In light of this, some strategies can be pursued in order to obtain stable colloidal dispersions of nanoclays with the aim to improve their features and to expand their use. Hence, this chapter presents an overview on the structural and morphological characteristics, the physico-chemical properties and the main approaches that are taken into account for the preparation of homogeneous suspensions of Halloysite, Imogolite and Laponite in both aqueous and apolar solvent media. In p…
Supramolecular isomerism in spin crossover networks with aurophilic interactions
2004
Assembly of FeII, 3-cyanopyridine and [Au(CN)2]– affords, in one-pot reaction, three coordination polymers that represent a genuine example of supramolecular isomerism with strong influence in the spin crossover regime of the FeII ions. Real Cabezos, Jose Antonio, Jose.A.Real@uv.es
Fully Vacuum-Processed Wide Band Gap Mixed-Halide Perovskite Solar Cells
2017
Methylammonium lead mixed-halide perovskites MAPb(BrxI1–x)3 are promising materials for the preparation of tandem devices. When exposed to light, MAPb(BrxI1–x)3 segregates in iodide- and bromide-rich phases, limiting the achievable photovoltage and hence the attainable device efficiency. To date only solution-processed mixed-halide perovskites have been demonstrated. We present fully vacuum-deposited mixed-halide perovskite thin films with band gap of 1.72 and 1.87 eV, prepared by controlling the deposition rates of the different halide precursors. When used in thin-film devices, these materials lead to power conversion efficiencies of 15.9 and 10.5%, respectively, which are among the highe…