Pavel Urbánek

Effect of backbone conformation and its defects on electronic properties and assessment of the stabilizing role of π–π interactions in aryl substituted polysilylenes studied by DFT on deca[methyl(phenyl)silylene]s

BackgroundRecent efforts in the field of mesoscale effects on the structure and properties of thin polymer films call to revival interest in conformational structure and defects of a polymer backbone which has a crucial influence on electronic properties of the material. Oligo[methyl(phenyl)silylene]s (OMPSi) as exemplary molecules were studied theoretically by DFT in the form of optimal decamers and conformationally disrupted decamers (with a kink).ResultsWe proved that transoid backbone conformation is true energy minimum and that a kink in the backbone causes significant hypsochromic shift of the absorption maximum (λmax), while backbone conformation altering from all-eclipsed to all-anti affects λmax in the opposite way. π–π stacking was investigated qualitatively through optimal geometry of OMPSi and mutual position of their phenyls along the backbone and also quantitatively by an evaluation of molecular energies obtained from single point calculations with functionals, which treat the dispersion effect in the varying range of interaction.ConclusionsThe kink was identified as a realistic element of the conformational structure that could be able to create a bend in a real aryl substituted polysilylene chain because it is stabilized by attractive π–π interactions between phenyl side groups.Graphical abstract.

Sonochemical synthesis of Gd3+ doped CoFe2O4 spinel ferrite nanoparticles and its physical properties

In this work, a facile and green method for gadolinium doped cobalt ferrite (CoFe2-xGdxO4; x=0.00, 0.05, 0.10, 0.15, 0.20) nanoparticles by using ultrasonic irradiation was reported. The impact of Gd3+ substitution on the structural, magnetic, dielectric and electrical properties of cobalt ferrite nanoparticles was evaluated. The sonochemically synthesized spinel ferrite nanoparticles were characterized by X-ray Diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), vibrating sample magnetometer (VSM). X-ray diffraction (XRD) study confirmed the formation of single phase spinel ferrite of CoFe2-xGdxO4 nanoparticles. XRD results also revealed that ultrasonic irradiation seems to be favourable to achieve highly crystalline single crystal phase gadolinium doped cobalt ferrite nanoparticles without any post annealing process. Fourier Transform Infrared and Raman Spectra confirmed the formation of spinel ferrite crystal structure. X-ray photoelectron spectroscopy revealed the impact of Gd3+ substitution in CoFe2O4 nanoparticles on cation distribution at the tetrahedral and octahedral site in spinel ferrite crystal system. The electrical properties showed that the Gd3+ doped cobalt ferrite (CoFe2-xGdxO4; x=0.20) exhibit enhanced dielectric constant (277 at 100Hz) and ac conductivity (20.2×10-9S/cm at 100Hz). The modulus spectroscopy demonstrated the impact of Gd3+ substitution in cobalt ferrite nanoparticles on grain boundary relaxation time, capacitance and resistance. Magnetic property measurement revealed that the coercivity decreases with Gd3+ substitution from 234.32Oe (x=0.00) to 12.60Oe (x=0.05) and further increases from 12.60Oe (x=0.05) to 68.62Oe (x=0.20). Moreover, saturation magnetization decreases with Gd3+ substitution from 40.19emu/g (x=0.00) to 21.58emu/g (x=0.20). This work demonstrates that the grain size and cation distribution in Gd3+ doped cobalt ferrite nanoparticles synthesized by sonochemical method, is effective in controlling the structural, magnetic, and electrical properties, and can be find very promising applications.

Reversible Actuation Ability upon Light Stimulation of the Smart Systems with Controllably Grafted Graphene Oxide with Poly (Glycidyl Methacrylate) and PDMS Elastomer: Effect of Compatibility and Graphene Oxide Reduction on the Photo-Actuation Performance

This study is focused on the controllable reduction of the graphene oxide (GO) during the surface-initiated atom transfer radical polymerization technique of glycidyl methacrylate (GMA). The successful modification was confirmed using TGA-FTIR analysis and TEM microscopy observation of the polymer shell. The simultaneous reduction of the GO particles was confirmed indirectly via TGA and directly via Raman spectroscopy and electrical conductivity investigations. Enhanced compatibility of the GO-PGMA particles with a polydimethylsiloxane (PDMS) elastomeric matrix was proven using contact angle measurements. Prepared composites were further investigated through the dielectric spectroscopy to provide information about the polymer chain mobility through the activation energy. Dynamic mechanical properties investigation showed an excellent mechanical response on the dynamic stimulation at a broad temperature range. Thermal conductivity evaluation also confirmed the further photo-actuation capability properties at light stimulation of various intensities and proved that composite material consisting of GO-PGMA particles provide systems with a significantly enhanced capability in comparison with neat GO as well as neat PDMS matrix.

Antenna of silver nanoparticles mounted on a flexible polymer substrate constructed using inkjet print technology

This article describes the construction of an antenna that operates at frequencies of 1.07, 1.5, and 2.49 GHz and that is fabricated on a flexible polymer substrate using inkjet printing technology. In particular, this article is focused on the preparation and characterization of an antenna starting from the ink formulation for printing a homogeneous, electrically conductive layer using silver nanoparticles. The diameter of the prepared silver nanoparticles ranges from 50 to 200 nm. The inkjet printing technology on flexible polymer substrates offers a wide range of applications where there are high demands for flexibility. In combination with the polymer substrate, inkjet printing enables the production of more complex shapes and curves for antennas that are widely applicable not only in wearable electronic devices but also in plastic cases for portable communication devices.

Water-Based Indium Tin Oxide Nanoparticle Ink for Printed Toluene Vapours Sensor Operating at Room Temperature

This study is focused on the development of water-based ITO nanoparticle dispersions and ink-jet fabrication methodology of an indium tin oxide (ITO) sensor for room temperature operations. Dimensionless correlations of material-tool-process variables were used to map the printing process and several interpretational frameworks were re-examined. A reduction of the problem to the Newtonian fluid approach was applied for the sake of simplicity. The ink properties as well as the properties of the deposited layers were tested for various nanoparticles loading. High-quality films were prepared and annealed at different temperatures. The best performing material composition, process parameters and post-print treatment conditions were used for preparing the testing sensor devices. Printed specimens were exposed to toluene vapours at room temperature. Good sensitivity, fast responses and recoveries were observed in ambient air although the n-type response mechanism to toluene is influenced by moisture in air and baseline drift was observed. Sensing response inversion was observed in an oxygen and moisture-free N2 atmosphere which is explained by the charge-transfer mechanism between the adsorbent and adsorbate molecules. The sensitivity of the device was slightly better and the response was stable showing no drifts in the protective atmosphere.