Perovskite–polymer hybrids are fascinating materials combining improved physical properties with a flexibility that make them very suitable for electric and optoelectronic devices and applications. In the present work, nano-sized BiFeO3 and NaTiO3 were mixed with polymethyl methacrylate (PMMA) by solution casting to obtain transparent nanocomposite films. The structural properties, interactions between

Urchin-like NiCo2O4 particles were prepared by a facile hydrothermal method and conductive polypyrrole (PPy) coatings were formed on the surface of the NiCo2O4 particles by the chemical oxidative polymerization of pyrrole monomers. The effects of the PPy content on the electrochemical properties of the NiCo2O4/PPy composites were investigated. The 30 wt% NiCo2O4/PPy sample exhibited excellent electrochemical

Nano-nest polyaniline electrodes were synthesized by using electrodeposition method at room temperature (27 °C) without the use of templating. The fabrication of supercapacitors is carried out by direct electrodeposition on stainless steel and indium tin oxide (ITO) substrates. The electrode with a lower contact angle shows 83% enhancement in supercapacitive property as compared to those with higher

The magnetic susceptibility in the high-quality epitaxial films Nd1.82Ce0.18CuO4/SrTiO3 with different orientation of the c-axis of electron-doped superconductors Nd1.82Ce0.18CuO4 was investigated. The strong anisotropic behavior of the magnetic susceptibility versus external magnetic field χ||(H) and χ||(H) at H˂10 kOe and highly anisotropic temperature dependencies of the magnetic susceptibility

The structural, vibrational and thermodynamic properties of the cyanuric triazide crystal is investigated through density functional theory (DFT) simulations within the dispersion corrected generalized gradient approximation (GGA + G06) by considering the norm conserving pseudopotentials. Infrared spectra and Born effective charges are computed through linear response method using the density functional

In(1–x)Al(x)Sb films with four Al relative concentrations (0, 20, 30 and 40%) were deposited using magnetron sputtering onto a SiO2/Si substrate and subsequently irradiated with 14 MeV Au6+ ions with fluences in the range of 1 × 1012–3 × 1014 cm−2. Grazing incidence X-ray diffraction analysis showed the formation of a polycrystalline compound structure with a zinc blende phase for all of the In(1–x)Al(x)Sb

P2–Na0.67Co0.20Mn0.79Ce0.01O2 (NCMC) was synthesized through Mn-site Ce-doping by solid-state method. The X-ray diffraction displays that P2-type structure of the pristine oxide with the space group of P63/mmc has not been changed by Ce-doping. XRD refinements and X-ray photoelectron spectroscopy analysis shows that cerium ions enter the lattice of the pristine oxide. The capacity retention rates of

A regular nanocomposite, consisting of 62 alternating Ag2Se and chalcogenide glass nanolayers of identical thickness, was fabricated by Pulsed Laser Deposition. The total thickness of the nanostructure is 700 nm. The Ag2Se layers in the nanostructure are amorphous in a wide temperature range, unlike the individual layers of this compound. A method for determining values of ionic and electronic conductivity

Structure, stability, and thickness-dependent properties of ultrathin crystalline calcium fluoride (fluorite, CaF2) with promising application in two-dimensional (2D) field-effect transistors have been investigated by ab initio calculation. The enthalpy of formation and phonon calculations demonstrate the phase and dynamical stabilities of ultrathin CaF2. The verification of the stability for mono-

The effect of size distribution and shape of inert surface particles on the oxygen exchange kinetics of solid oxides is investigated. In particular, relaxation curves are calculated numerically for both thick (bulk) samples (thickness: 0.05 cm) and thin samples (thickness: 0.5–5 μm) by means of the finite element method. A “bimodal” size distribution, comprising coarse particles and many tiny particles

The growth behavior and electronic and magnetic properties of AgnTi (n = 1–16) clusters have been studied by using density functional theory and unbiased structure prediction method. Geometry optimizations indicate that a Ti atom in low-energy AgnTi cluster occupies the highest coordination position. The growth of the ground state structure shows an obvious regularity. The infrared, Raman and photoelectron

In this communication, the effect of lanthanum substitution on structural and electrical characteristics of Ba(Fe0.5Nb0.5)O3 (BFN) in different compositions (i.e. (Ba1-xLax) (Fe0.5Nb0.5)1-x/4O3, where x = 0, 0.05, 0.1, 0.15 and 0.2) has been reported. The samples of all the compositions were fabricated by using a standard solid-state reaction method. X-ray structural analysis using X-ray diffraction

We report the atomistic simulation study of the Al3+-doping effects on the structural properties of LaCrO3 compound. We observed that Al3+-doping in the range of 0-80 wt% induced a decrease in the lattice parameters, unit cell volume, and Cr/Al-O and La-Cr/Al bond lengths. At the phase transition, around 60 wt% of Al3+-doping, and positive volume expansion was observed, which confirmed the orthorhombic

Two coordination polymers (CPs) based on Cu(II) of {[Cu(L)]·(CH3CN)}n (1) and {[Cu2(L)2(H2O)] 3H2O}n (2) (H2L = 5-(benzimidazole-1-yl)isophthalic acid) were prepared through the hydrothermal method and then characterized by elemental analysis and single-crystal X-ray diffraction. In addition, the magnetic performances of the complex 1 and the complex 2 were investigated, which revealed antiferromagnet

Morphological, electrochemical, and dye photodegradation studies on CuFe2O4 nanoparticles (NPs) prepared by a probe sonication method are presented. Powder X-ray diffraction (PXRD) analysis indicated an average crystal size of 35–40 nm for the synthesized NPs. Diffuse-reflectance spectroscopy (DRS) and measurement of the band-gap energy indicated semiconductor behaviour. Vibrating sample magnetometry

The Hall effect, temperature dependent resistivity, and optical spectroscopy (4.3 meV–6.2 eV) of a series of Bi2-xSe3 crystals in the range −0.05 < x < 0.15, have been measured. We find that Bi2-xSe3, grown directly from a melt, is a narrow band gap degenerate semiconductor where the carrier concentration varies in a systematic, although non-monatomic way, with the Bi melt-content. We have successfully

In this study, HfAlO3 ternary alloy thin film was grown on n-type silicon using the atomic layer deposition method. The current transport mechanisms in the (Au/Ni)/HfAlO3/n-Si junction were examined over a wide temperature range (80–360 K). The values obtained for the ideality factor (n) varied from 22.93 to 3.94 and the barrier height at zero bias (ФB0) ranged from 0.221 eV to 0.821 eV as the temperature

We investigated the aluminum and silver doped effects on the electrical structure and optical properties of SnO2. The SnO2: Ag/Al system was calculated by using the plane-wave pseudopotential method based on density functional theory. The energy band structure, density of states, defect formation energy and optical properties were analyzed to detect the different performance. It is found that the Al

We studied the electric and ferroelectric properties of reduced graphene oxide/lead titanate (PbTiO3) hybrids synthesized by the hydrothermal processes. The samples were characterized by X-ray diffraction, differential scanning calorimetry, Fourier transform IR spectroscopy, Raman spectroscopy, and high-resolution transmission electron microscopy. Additionally, the DC electrical properties and the

In this study, a two-/three-dimension (2D/3D) architecture was designed and fabricated by a facile dip-calcination procedure. In this design, moss-like zinc ferrite (ZnFe2O4) was grown on the surface of 3D zinc oxide tetrapods (ZnO-T) to form a semiconductor heterostructure. This unique architecture features the merits of copious porosities that facilitate gas circulation and boost active gas-absorption

A green electrochemical approach is developed for the fabrication of polyaniline (PANI) nanofiber and carbon quantum dots (C-dots) nanoparticles. In this regard, C-dots were manufactured by DC power supply by 2 Pt plates in ethanol and NaOH solution. While, PANI was synthesized by chronopotentiometry using a 3-electrode compartment system in aniline and SDS solution. The C-dots/PANI composite was prepared

The double perovskite materials have attracted broad interest of researchers in recent years because of their potential applications in renewable energy. This work comprehensively explore optoelectronic and thermoelectric properties of Rb2PtCl6 and Rb2PtBr6 of double perovskite for renewable energy applications. The structural and thermodynamic stabilities are ensured by calculating their tolerance

The numbers of Weyl nodes and the separations between them have essential importance in determining the topological properties of Weyl semimetal. Weyl semimetal state has recently been observed in noncentrosymmetric transition metal dichalcogenides. However, most discovered Weyl semimetal materials possess a substantial number of Weyl points (NWP), which give rise to the complication of transport properties

A facile hydrothermal route synthesizes Co3O4 nanocrystals with urchin spine-like morphology. Structure and microstructural characterizations of the sample are carried out. Electrochemical properties have been explored in the presence of different electrolytes. In order to find out the best electrolyte, three electrolytes (Na2SO4, NaOH and Na2SO4 with Hq) of fixed concentration (1 M) are used to record

We have successfully fabricated Zn1-xEuxSe (x = 0–0.1) quantum dots (QDs) with an average size of ~5 nm. X-ray diffraction analyses indicated that the zincblende-wurtzite structural transition occurred around x = 0.05. This leads to a small change in value of the band-gap energy Eg from 3.13 eV for x = 0–3.03 eV for x = 0.1. By studying their photoluminescence (PL) spectra, we observed two emission

Compared with 3d-electron transition metal oxides (TMOs), 5d-electron TMOs, particularly iridates, have strong competition between spin-orbit coupling and on-site Coulomb repulsion due to their comparable energies. By using aberration-corrected transmission electron microscopy, we have studied at an atomic scale the Sr3Ir2O7 sample with a bilayered perovskite structure, which is synthesized under high

In this study, the real and imaginary components of the complex dielectric (ε* = ε′ - jε'′), complex electric modulus (M* = M′ + jM'′), and electrical conductivity (σac) were investigated for fabricated Al/(5% graphene (Gr)-PVA)/p-Si (metal-polymer-semiconductor (MPS)) type structures in wide frequency (5 kHz–5 MHz) and voltage (±4 V) ranges by using impedance (Y = 1/Z = G + jωC) measurements. To determine

Earlier reports on resonance Raman scattering in ZnO suggests that the electron phonon coupling in ZnO usually increase with nanoparticle size or decline with the doping concentration. We investigated the effect of combination of the concentration of dopant and the variation of size of nanorods over the electron phonon interaction in Cd doped ZnO nanorod array fabricated by a simple, low temperature

We performed first principles calculations using the Density Functional Theory (DFT) method with the PBE0 hybrid functional for exchange and correlation energy, to determine the thermodynamic and mechanical properties and stability of the system Cr–N. We report formation energy, cohesive energy, lattice parameters, Wyckoff positions, elastic constants, elastic moduli and Debey temperature. For Cr 2N

A hydrothermal method was used to prepare a hierarchical flower-like NiMoO4@Ni3S2 composite on a three-dimensional Ni foam substrate, and the effects of different amounts of ethylene glycol in the precursor solution on the morphology and performance of [email protected]4@Ni3S2 were investigated. The as-synthesized No-10/Ni3S2 electrode exhibits a specific capacity up to 870 C g−1 at 0.6 A g−1 and excellent

Herein, the influence of ammonia titration on the NH3-SCR activity of the tungsten-doped CeO2 catalyst synthesized via the starch bio-template spread self-combustion (SSC) method was investigated. The titration of ammonia water restrains the growth up of cubic CeO2 crystallite and the formation of Ce4W9O33 in Ce4W2Oz(w/o) when the titration pH value of solution is up to 7.0, thus enhances the dispersion

Pure and Cr-doped hematite (α-(Fe1-xCrx)2O3, x = 0, 0.026, 0.039, 0.085 or 0.135) nanorods were prepared by a simple co-precipitation and calcination method. Influence of different levels of Cr doping on the change of properties of long and thin pure hematite nanorods was investigated. Cr3+-for-Fe3+ substitution in the crystal structure of hematite was proved by measuring a gradual contraction of the

We have synthesized ternary cobalt alloy using a chemical reduction process using hydrazine as a reducing agent . X-Ray Diffraction (XRD) measurements shows that the synthesized cobalt ternary alloy exists in the pure face centred cubic (fcc) phase with lattice parameter of 3.5562 ± 5 Å. The SEM micrograph shows that the particles exist in the spherical shape which suggests that the particles are crystallized

By applying classical density functional theory approach, one study is done on the impacts of the relative size (compared to that of the salt ions) of the cylindrical pore electrode on the curves of differential electrical capacitance Cd vs surface charge strength |σ| and energy storage density E vs applied voltage U, main conclusions are summarized as follows. (i) Solvent granularity always tries

Polycrystalline Zn2GeO4 powders and sintered ceramics were prepared by the microwave–assisted solid-state reaction method. Structural, chemical, and morphological properties, as well as the optical-vibration features of the obtained materials, were investigated by XRD, scanning and transmission electron microscopies, polarized micro-Raman scattering, and infrared spectroscopy. Single-phase, high-purity