Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

Deposition,opto-electronic and structural characterization of polymorphous silicon thin films to be applied in a solar cell structure

In this study we analyze the optoelectronic properties and structural characterization of hydrogenated polymorphous silicon thin films as a function of the deposition parameters. The films were grown by plasma enhanced chemical vapor deposition (PECVD) using a gas mixture of argon (Ar), hydrogen (H₂) and dichlorosilane (SiH₂Cl₂). High-resolution transmission electron microscopy images and Raman measurements confirmed the existence of very different internal structures (crystalline fractions from 12% to 54%) depending on the growth parameters. Variations of as much as one order of magnitude were observed in both the photoconductivity and effective absorption coefficient between the samples deposited with different dichlorosilane/hydrogen flow rate ratios. The optical and transport properties of these films depend strongly on their structural characteristics, in particular the average size and densities of silicon nanocrystals embedded in the amorphous silicon matrix. From these results we propose an intrinsic polymorphous silicon bandgap grading thin film to be applied in a p–i–n junction solar cell structure. The different parts of the solar cell structure were proposed based on the experimental optoelectronic properties of the pm-Si:H thin films studied in this work.     

Structural and optical properties of CdTe-nanocrystals thin films grown by chemical synthesis

By mans of a chemical synthesis technique stoichiometric CdTe-nanocrystals thin films were prepared on glass substrates at 70 °C. First, Cd(OH)₂ films were deposited on glass substrates, then these films were immersed in a growing solution prepared by dissolution of Te in hydroxymethane sulfinic acid to obtain CdTe. The structural analysis indicates that CdTe thin films have a zinc-blende structure. The average nanocrystal size was 19.4 nm and the thickness of the films 170 nm. The Raman characterization shows the presence of the longitudinal optical mode and their second order mode, which indicates a good crystalline quality. The optical transmittance was less than 5% in the visible region (400–700 nm). The compositional characterization indicates that CdTe films grew with Te excess.     

High recoverable energy storage density and large energy efficiency simultaneously achieved in BaTiO3–Bi(Zn1/2Zr1/2)O3 relaxor ferroelectrics

Relaxor ferroelectrics have attracted much attention as electric energy storage materials for intermittent energy storage because of their high saturated polarization, near-zero remnant polarizations, and considerable dielectric breakdown strength (BDS). Despite the numerous efforts, the dielectric energy storage performance of relaxor ferroelectric ceramics is incomplete or unsatisfactory. The enhancement of recoverable energy storage density W_rec usually accompanies with the sacrifice of discharge-to-charge energy efficiency η; therefore, it is an important issue to achieve high recoverable W_rec and large efficiency η simultaneously. In this work, the (1-x)BaTiO₃-xBi(Zn_1/2Zr_1/2)O₃ (abbreviated as BT-100xBZZ, 0 ≤ x ≤ 0.20) ferroelectric ceramics were prepared using the conventional solid-state reaction method. The phase structure, microstructural morphology, dielectric and ferroelectric properties, relaxation behaviors, and energy storage properties of BT-BZZ ceramics were investigated in detail. X-ray powder diffraction, dielectric spectra, and ferroelectric properties confirm the transformation of tetragonal phase for normal ferroelectrics (BT) to pseudo-cubic phase for relaxor ferroelectrics (BT-8BZZ). A high recoverable energy storage density W_rec of 2.47 J/cm³ and a large energy efficiency η of 94.4% are simultaneously achieved in the composition of BT-12BZZ, which presents typical weakly coupled relaxor ferroelectric characteristics, with an activation energy E_a of 0.21 eV and a freezing temperature T_f of 139.7 K. Such excellent energy storage performance suggests that relaxor ferroelectric BT-12BZZ ceramics are promising dielectric energy storage materials for high-power pulsed capacitors.     

Bipolar resistive switching behavior and conduction mechanisms of composite nanostructured TiO2/ZrO2 thin film

In this work, TiO₂/ZrO₂ bilayer thin film was prepared on fluorine doped tin oxide (FTO)/glass substrates by using a simple and low-cost chemical solution deposition method. Reproducible bipolar resistive switching (RS) characteristics in Au/TiO₂/ZrO₂/FTO/glass devices are reported in this work. TiO₂/ZrO₂ bilayer thin films prepared in this work shows reversible bipolar resistive switching and unidirectional conduction performances under applying voltage and these special performances of TiO₂/ZrO₂ bilayer thin films was first reported. Obvious resistive switching performance can be observed after setting a compliance current, the ratio of high/low resistance reached about 100 at a read voltage of +0.1V and −0.1V and the RS properties showed no obvious degradation after 100 successive cycles tests. The resistive switching characteristics of Au/TiO₂/ZrO₂/FTO/glass device can be explained by electron trapping/detrapping related with the vacancy oxygen defects in TiO₂/ZrO₂ bilayer thin film layer. According to slope fitting, the main conduction mechanisms of the sample are Ohmic and Space charge limited current mechanism.     

Selective Coating of SnS on the Bio‐Inspired Moth‐Eye Patterned PEDOT:PSS Polymer Films

A new strategy for the selective coating of tin sulfide (SnS) on the surface of moth‐eye patterned (MEP) conducting polymer film is studied by considering the optical properties of the antireflective moth‐eye pattern and flexibility of polymer films. The semiconductor SnS is selectively coated on the surface of MEP microdomes of poly(3,4‐ethylenedioxythiophene) poly(styrene‐sulfonate) (PEDOT:PSS) film. The SnS coated MEP film is obtained by using pore selectively SnS thin layer functionalized polystyrene honeycomb‐patterned porous (HCP) film as a template. Aqueous PEDOT:PSS solution is poured on the SnS functionalized HCP films and detached for the fabrication of SnS coated MEP films. The films show a satisfactory photo‐responsive property under solar stimulated light illumination due to the antireflective MEP structure of PEDOT film and homogenous SnS coating on the surface of the conducting polymer.     

Quantitative investigation of electromechanical coupling of potassium sodium niobate-based thin films

High-performance environment-friendly piezoelectric potassium sodium niobate (KNN)-based thin films have been emerged as promising lead-free candidates, while their substrate-dependent piezoelectricity faces the lack of high-quality information due to restraints in measurements. Although piezoresponse force microscopy (PFM) is a potential measuring tool, still its regular mode is not considered as a reliable characterization method for quantification. After combining machine-learning enabled analysis using PFM datasets, it is possible to measure piezoelectric properties quantitatively. Here we utilized advanced PFM technology empowered by machine learning to measure and compare the piezoelectricity of KNN based thin films on different substrates. The results provide a better understanding of the relationship between structures and piezoelectric properties of the thin films.     

Mechanical properties of graphene films enhanced by homo-telechelic functionalized polymer fillers via π–π stacking interactions

Most researches on graphene/polymer composites are focusing on improving the mechanical and electrical properties of polymers at low graphene content instead of paying attention to constructing graphene’s macroscopic structures. In current study the homo-telechelic functionalized polyethylene glycols (FPEGs) were tailored with π-orbital-rich groups (namely phenyl, pyrene and di-pyrene) via esterification reactions, which enhanced the interaction between polyethylene glycol (PEG) molecules and chemical reduced graphene oxide (RGO) sheets. The π–π stacking interactions between graphene sheets and π-orbital-rich groups endowed the composite films with enhanced tensile strength and tunable electrical conductivity. The formation of graphene network structure mediated by the FPEGs fillers via π–π stacking non-covalent interactions should account for the experimental results. The experimental investigations were also complemented with theoretical calculation using a density functional theory. Atomic force microscope (AFM), scanning electron microscope (SEM), X-ray diffraction (XRD), nuclear magnetic resonance (NMR), thermal gravimetric analysis (TGA), UV–vis and fluorescence spectroscopy were used to monitor the step-wise preparation of graphene composite films.     

Structure and electrical properties of Ca2+-doped (Na0.47Bi0.47Ba0.06)TiO3 lead-free piezoelectric ceramics

The lead-free piezoelectric ceramics (Na_.47Bi_.47Ba_.06)_1-xCa_xTiO₃ (x?=?0, 0.01, 0.02, 0.03, 0.05, and 0.08, abbreviated as BNBTC/0, BNBTC/1, BNBTC/2, BNBTC/3, BNBTC/5, and BNBTC/8, respectively) were obtained using the solid-state reaction method. The structure, electric conductivity, and dielectric, ferroelectric, and piezoelectric properties of the Ca²⁺-doped (Na_.47Bi_.47Ba_.06)TiO₃ ceramics were thoroughly investigated. The ceramics sintered at 1200?°C exhibit dense microstructures, having relative densities higher than 96%. The X-ray diffraction results demonstrate that all ceramics have a pure perovskite structure. The mean grain sizes of the ceramics are related to the Ca²⁺ quantity. A small quantity of Ca²⁺ ions (x?≤?0.03) improves the piezoelectric and ferroelectric properties of the samples. The dielectric behavior of the samples is sensitive to the Ca²⁺ content and electric poling. The results demonstrate that the electrical properties of the (Na_.47Bi_.47Ba_.06)TiO₃ lead-free ceramics can be well tuned by varying the Ca²⁺ quantity.