Intrinsic Room-Temperature Ferromagnetism in New Halide Perovskite AgCrX3 (X: F, Cl, Br, I) Using Ab Initio and Monte Carlo Simulations.

Herein, we present a detailed comparative study of the structural, elastic, electronic, and magnetic properties of a series of new halide perovskite AgCrX3 (X: F, Cl, Br, I) crystal structures using density functional theory, mean-field theory (MFT), and quantum Monte Carlo (MC) simulations. As demonstrated by the negative formation energy and Born-Huang stability criteria, the suggested perovskite compounds show potential stability in the cubic crystal structure. The materials are ductile because the Pugh's ratio is greater than 1.75, and the Cauchy pressure (C12-C44) is positive. The ground state magnetic moments of the compound were calculated as 3.70, 3.91, 3.92, and 3.91 µB for AgCrF3, AgCrCl3, AgCrBr3, and AgCrI3, respectively. The GGA + SOC computed spin-polarized electronic structures reveal ferromagnetism and confirm the metallic character in all of these compounds under consideration. These characteristics are robust under a ±3% strained lattice constant. Using relativistic pseudopotentials, the total energy is calculated, which yields that the single ion anisotropy is 0.004 meV and the z-axis is the hard-axis in the series of AgCrX3 (X: F, Cl, Br, and I) compounds. Further, to explore room-temperature intrinsic ferromagnetism, we considered ferromagnetic and antiferromagnetic interactions of the magnetic ions in the compounds by considering a supercell with 2 × 2 × 2 dimensions. The transition temperature is estimated by two models, namely, MFT and MC simulations. The calculated Curie temperatures using MC simulations are 518.35, 624.30, 517.94, and 497.28 K, with ±5% error for AgCrF3, AgCrCl3, AgCrBr3, and AgCrI3 compounds, respectively. Our results suggest that halide perovskite AgCrX3 compounds are promising materials for spintronic nanodevices at room temperature and provide new recommendations. For the first time, we report results for novel halide perovskite compounds based on Ag and Cr atoms.

Electrochemical Investigation of PANI:PPy/AC and PANI:PEDOT/AC Composites as Electrode Materials in Supercapacitors.

The electrochemical deposition of the composites polyaniline (PANI):polypyrrole (PPy)/activated carbon (AC) and polyaniline (PANI): 3, 4-polyethylenedioxythiophene (PEDOT)/AC films is carried out in this work. The electrochemical character of the fabricated samples is investigated via cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS) using a three-electrode setup. The values of the specific capacitance of the composites PANI:PPy/AC and PANI:PEDOT/AC at a current density of 1 Ag-1 are evaluated as 586 Fg-1 and 611 Fg-1, respectively. The values of energy density are 40 Whkg-1 and 2094 Wkg-1, whereas power density is recorded as 44 Whkg-1 and 2160 Wkg-1 for respective composites PANI:PPy/AC and PANI:PEDOT/AC. Moreover, the respective composites appeared to retain cyclic stabilities of 92% and 90%. This study points to the potential of the prepared composites for application as electrodes in supercapacitors.

High performance and remarkable cyclic stability of a nanostructured RGO-CNT-WO3 supercapacitor electrode.

One of the most pressing concerns in today's power networks is ensuring that consumers (both home and industrial) have access to efficient and long-lasting economic energy. Due to improved power accessibility and high specific capacitance without deterioration over long working times, supercapacitor-based energy storage systems can be a viable solution to this problem. So, here, tungsten trioxide (WO3) nanocomposites containing reduced graphene oxide and carbon nanotubes i.e. (RGO-WO3), (CNT-WO3), and (RGO-CNT-WO3), as well as pure WO3 nanostructures as electrode materials, were synthesized using a simple hydrothermal process. The monoclinic phase of WO3 with high diffraction peaks is visible in X-ray diffraction analysis, indicating good crystallinity of all electrode materials. Nanoflowers of WO3 were well-decorated on the RGO/CNTs conductive network in SEM micrographs. In a three-electrode system, the specific capacitance of the RGO-CNT-WO3 electrode is 691.38 F g-1 at 5 mV s-1 and 633.3 F g-1 at 2 A g-1, which is significantly higher than that of pure WO3 and other binary electrodes. Furthermore, at 2 A g-1, it achieves a coulombic efficiency of 98.4%. After 5000 cycles, RGO-CNT-WO3 retains 89.09% of its capacitance at 1000 mV s-1, indicating a promising rate capability and good cycling stability performance.

Graphene-Oxide-Based Fluoro- and Chromo-Genic Materials and Their Applications.

Composite materials and their applications constitute a hot field of research nowadays due to the fact that they comprise a combination of the unique properties of each component of which they consist. Very often, they exhibit better performance and properties compared to their combined building blocks. Graphene oxide (GO), as the most widely used derivative of graphene, has attracted widespread attention because of its excellent properties. Abundant oxygen-containing functional groups on GO can provide various reactive sites for chemical modification or functionalization of GO, which in turn can be used to develop novel GO-based composites. This review outlines the most recent advances in the field of novel dyes and pigments encompassing GO as a key ingredient or as an important cofactor. The interactions of graphene with other materials/compounds are highlighted. The special structure and unique properties of GO have a great effect on the performance of fabricated hybrid dyes and pigments by enhancing the color performance of dyes, the anticorrosion properties of pigments, the viscosity and rheology of inks, etc., which further expands the applications of dyes and pigments in dyeing, optical elements, solar-thermal energy storage, sensing, coatings, and microelectronics devices. Finally, challenges in the current development as well as the future prospects of GO-based dyes and pigments are also discussed. This review provides a reference for the further exploration of novel dyes and pigments.

Synergistic antibacterial activity of surfactant free Ag-GO nanocomposites.

Graphene oxide-silver (Ag-GO) nanocomposite has emerged as a vital antibacterial agent very recently. In this work, we report a facile one step route of Ag-GO nanocomposite formation excluding the aid of surfactants and reductants and was successfully applied to negative Escherichia Coli (E coli) to investigate antibacterial activity by varying doze concentration. The successful formation of Ag-GO nanocomposite via facile one step route was confirmed using Fourier transform infrared spectroscopy (FTIR) and Raman Spectroscopy. The absorption spectra (peak ~ 300 nm) for GO and the (peak ~ 420 nm) for silver nanoparticles were observed. XRD study confirmed the formation of Ag-GO nanocomposite while atomic force microscopy (AFM) showed crumbled GO sheets decorated with Ag nanoparticles. It was observed that the functional groups of GO facilitated the binding of Ag nanoparticles to GO network and enhanced the antibacterial activity of the nanocomposite.

Nitrogen-doped graphene oxide as a catalyst for the oxidation of Rhodamine B by hydrogen peroxide: application to a sensitive fluorometric assay for hydrogen peroxide.

The authors report that nitrogen-doped graphene oxide (NGO) catalyzes the oxidative decomposition of the fluorophore Rhodamine B (RhB) by hydrogen peroxide. The catalytic decomposition of hydrogen peroxide yields free hydroxyl radicals that destroy RhB so that the intensity of the yellow fluorescence is reduced. Nitrogen doping enhances the electronic and optical properties and surface chemical reactivities of GO such as widening of bandgap, increase in conductivity, enhanced quenching and adsorbing capabilities etc. The catalytic properties of NGO are attributed to its large specific surface and high electron affinity of nitrogen atoms. The chemical and structural properties of GO and NGO were characterized by XRD, FTIR, SEM, UV-visible and Raman spectroscopies. The method was optimized by varying the concentration of RhB, nitrogen dopant and hydrogen peroxide. The fluorescent probe, best operated at excitation/emission wavelengths of 554/577 nm, allows hydrogen peroxide to be determined in concentrations as low as 94 pM with a linear range spanning from 1 nM to 1 µM. Graphical abstract Schematic illustration of a fluorescence quenching method for the determination of H2O2. Upon addition of H2O2, nitrogen-doped graphene oxide (NGO) catalyzes the oxidation of Rhodamine B dye due to hydroxyl radical generation, which leads to a sensitive quenchometric methd for H2 O2.

A nanocomposite prepared from magnetite nanoparticles, polyaniline and carboxy-modified graphene oxide for non-enzymatic sensing of glucose.

The authors report on the synthesis of carboxy functionalized graphene oxide (fGO) decorated with magnetite (Fe3O4) nanoparticles. The resulting nanomaterial was used to prepare a composite with polyaniline (PANI) which was characterized by UV-vis, Fourier transform-infrared and Raman spectroscopies. Its surface morphologies were characterized by atomic force and scanning electron microscopies. A screen-printed carbon electrode was then modified with the nanocomposite to obtain an enzyme-free glucose sensor. The large surface of fGO and Fe3O4 along with the enhanced charge transfer capability of PANI warrant a pronounced electrochemical response (typically measured at 0.18 V versus Ag/AgCl) which is suppressed in the presence of glucose. This reduction of current by glucose was used to design a sensitive method for quantification of glucose. The response of the modified SPCE is linear in the 0.05 µM - 5 mM glucose concentration range, and the lower detection limit is 0.01 µM. Graphical abstract Schematic illustration of in-situ anchoring of Iron oxide on functionalized graphene oxide and synthesis of its polymeric nanocomposite for non-enzymatic detection of Glucose. The nanocomposite modified screen printed interface enabled monitoring of glucose at lower potential with higher precision. GO (graphene oxide), fGO (functionalized graphene oxide), PANI (polyaniline).

In Vitro Cytotoxicity and Morphological Assessments of GO-ZnO against the MCF-7 Cells: Determination of Singlet Oxygen by Chemical Trapping.

Graphene-based materials have attracted considerable interest owing to their distinctive characteristics, such as their biocompatibility in terms of both their physical and intrinsic chemical properties. The use of nanomaterials with graphene as a biocompatible agent has increased due to an uptick in dedication from biomedical investigators. Here, GO-ZnO was characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), ultraviolet-visible (UV-Vis) spectroscopy, energy dispersive X-ray analysis (EDAX), and Raman spectroscopy for structural, morphological, and elemental analysis. The toxic extent of GO-ZnO was noted by a methyl-thiazole-tetrazolium (MTT), while cellular morphology was observed towards the MCF-7 cells using an inverted microscope at magnification 40×. The cytotoxic effect of GO-ZnO investigated the cell viability reduction in a dose-dependent manner, as well as prompted the cell demise/destruction in an apoptotic way. Moreover, statistical analysis was performed on the experimental outcomes, with p-values < 0.05 kept as significant to elucidate the results. The generation of reactive oxygen species (ROS) demonstrated the potential applicability of graphene in tumor treatment. These key results attest to the efficacy of GO-ZnO nanocomposites as a substantial candidate for breast malignancy treatment.

Double image encryption by using iterative random binary encoding in gyrator domains.

We propose a double image encryption by using random binary encoding and gyrator transform. Two secret images are first regarded as the real part and imaginary part of complex function. Chaotic map is used for obtaining random binary matrix. The real part and imaginary part of complex function are exchanged under the control of random binary data. An iterative structure composed of the random binary encoding method is designed and employed for enhancing the security of encryption algorithm. The parameters in chaotic map and gyrator transform serve as the keys of this encryption scheme. Some numerical simulations have been made, to demonstrate the performance this algorithm.

Generation of hollow Gaussian beams by spatial filtering.

We demonstrate that hollow Gaussian beams can be obtained from Fourier transform of the differentials of a Gaussian beam, and thus they can be generated by spatial filtering in the Fourier domain with spatial filters that consist of binomial combinations of even-order Hermite polynomials. A typical 4f optical system and a Michelson interferometer type system are proposed to implement the proposed scheme. Numerical results have proved the validity and effectiveness of this method. Furthermore, other polynomial Gaussian beams can also be generated by using this scheme. This approach is simple and may find significant applications in generating the dark hollow beams for nanophotonic technology.