The possibility of a graphene-like Ising nanoparticle with high critical temperature or with a compensation point below its critical temperature is examined by decorating spin-3/2 atoms on the graphene-like Ising nanoparticle. The phase diagram and the temperature dependences of magnetization in the decorated nanoparticle are investigated by using the effective-field approximation with correlations

Copper Indium Selenide (CuInSe2) has been synthesized by solvothermal synthesis method. The Schottky diode (SD) has been fabricated by using the material and the interface characteristics of Al/CuInSe2/ITO have been investigated with the help of ac impedance spectroscopy (IS) analysis (under dark condition) and dc current-voltage (I-V) measurements (under both dark and photo condition). IS is a very

The phase composition, structure, and mechanical characteristics of ZrO2-based crystals stabilized with yttrium, cerium, and/or neodymium oxides at a total concentration of 2.8 mol% were studied. The stability of the phase composition and the mechanical characteristics of the crystals after annealing in air are considered. The entry of Nd3+ cations into the transformable (t) and nontransformable (t′)

Dumbbell-like ZnO micro-nanomaterials with uniform morphology were prepared with tetrasulfonatomethyl-n-hexyl calix[4]resorcinarene tetrasodium salt (THCRT) by a simple reflux method. The ZnO samples were characterized by X-ray diffraction, field emission scanning electron microscope, transmission electron microscopy, high-resolution transmission electron microscopy, thermogravimetric analysis, Br

The effect of samarium (Sm) addition on the microstructure, mechanical performance and corrosion behavior of extruded AZ41-xSm (x = 0%, 1%, 2% and 3%) alloys has been investigated by using optical microscope (OM), X-ray diffusion (XRD), scanning electronic microscope (SEM) equipped with energy dispersive spectroscope (EDS), tensile testing, hydrogen evolved and electrochemical tests. It is observed

In order to examine the Zn doping impact on the electronic and optical behaviours of the host Cu2O material at various concentrations (x=3.125%, 12.5%, and 25%) of Zn, we have performed first principles calculations. The computed electronic density of states of the pure bulk material Cu2O is established which corroborate the available previous experimental and theoretical reports. The Zn doped host

Poor selectivity has always been the most severe challenge in the practical applications of gas sensors based on metal-oxide semiconductors (MOSs). It is difficult to distinguish CO and H2 because of the cross-sensitivity phenomenon. Herein, a series of n-ZnO/p-xCo3O4 NPs (1:x represents the molar ratio of Zn:Co) was prepared through a simple sol-gel method. Structural and material characterization

Doping transition metal ions in LiCoO2 batteries has been proved an efficient method to improve the electrochemical properties in experiment, which is deeply related with the distorted local structure of impurities ions. According to the observed EPR spectra, the distorted local structures for 3d3 (Mn4+), 3d5 (Fe3+) and 3d7 (Ni3+) ions in LiCoO2 batteries are theoretically studied based on the perturbation

Cobalt ferrite nanoparticles were exposed to mechanochemical activation, with and without equimolar amounts of graphene nanoparticles, for time periods ranging from 0 to 12 hours. Their structural and magnetic properties were detailed from Mӧssbauer spectroscopy and magnetic measurements. The Mӧssbauer spectrum corresponding to the unmilled cobalt ferrite powder was analyzed using 2 sextets, corresponding

20% Fe substituted Li2MnO3 (Li1+x(Fe0.2Mn0.8)1-xO2, 0

Effect of different components on structural, mechanical, thermo-physical properties of (Nb-Ti-V-Zr)C crystalline high entropy ceramics (CHECs) were investigated systematically via performing first principles calculations combined with quasi-harmonic Debye-Grüneisen model. The equilibrium lattice constants and density were evaluated by fitting third-order Birch-Murnaghan equation of state. Based on

Using the first-principles calculation, based on density functional theory, the geometric structures, electronic, magnetic, and optical properties of CO, H2S, and NO toxic gas molecules adsorbed on alkali metals (Li, Na, K, Rb, and Cs) doped g-GaN monolayer have been investigated. The adsorbed systems have induced magnetic property except H2S adsorbed on Na doped g-GaN monolayer, the total magnetic

We study the electronic structure and magnetic interactions of ten layered chromium tetragonal pnictides ACr2Pn2 (A = Ba, Sr, Ca, Sc, K, and Pn = As, P) using first-principle density functional theory calculations. The structural parameters such as lattice constants, internal atomic parameters, interatomic distances, and angles for these systems compare quite well with experimental results. DFT results

Piezoceramic Na0.685K0.315Nb1–yTayO3 (NKNT) (where y ≤0.05) samples were prepared via a solid-state reaction using double sintering. The effects of Ta-doping on the phase structure and electrical properties of the NKNT ceramics were investigated. The temperature dependence of the dielectric constant, loss tangent, and dielectric conductivity of the prepared samples was measured from RT to 500 °C at

Defect engineering is one of the main ways to adjust the internal structure and electrochemical performance of materials. Therefore, we prepared MnO2 ultra-thin nanosheets loading on Ni foam as a supercapacitor electrode through hydrothermal process and vacuum annealing, which not only obtained oxygen defects on the surface, but also led to a shift in the valence of Mn4+ to Mn3+. The results indicate

The structural, elastic and related properties, electronic properties, thermodynamic, and vibrational properties of the V3X (X = Fe, Co, Ni) intermetallic compounds using the plane wave method within the density functional theory are studied and results are discussed in detail. There is a good agreement between the calculated lattice constants, formation enthalpies and available experimental and theoretical

The effect of substituting molybdenum for iron in triple-layer Ruddlesden–Popper ferrite Sr3LaFe3O10−δ has been examined. The solubility of molybdenum in LaSr3Fe3−xMoxO10−δ synthesized under an air atmosphere has been found to be at about x = 0.2. The oxygen non-stoichiometry, thermal expansion and electrical conductivity of the single-phase compositions (x = 0.1 and x = 0.2) have been studied from

Rare-earth (RE) fullerides are an intriguing family of materials in which electronic instabilities on the RE sublattice couple to the electronic and lattice degrees-of-freedom of the strongly-correlated fulleride sublattice. In particular, insulating Sm2.75C60 adopts an orthorhombic superstructure, arising from long-range ordering of Sm partial vacancies, and can be driven to a lattice-collapsed metallic

In(1-x)Al(x)Sb films were deposited on amorphous SiO2 by magnetron sputtering with four different In/Al concentration ratios and the local and extended atomic structure were investigated through extended x-ray absorption fine structure (EXAFS) spectroscopy and grazing incidence x-ray diffraction (GIXRD) analyses, respectively. GIXRD showed the deposited films are strained polycrystalline, however,

The functionality of Au25(S-glutathione)18 clusters change when some of the ligands in the cluster shell are replaced for other species. In this study we report on the synthesis and characterisation of a new cluster in which undecahydro-closo-dodecaborate thiolates are introduced as constituents of the shell surrounding the gold core. This is the first reported example in which the Au13 core of the

The wide band-gap of iron titanium oxide Fe2TiO5 (Pseudobrookite) is very well known as potential thermoelectric compounds for its great Seebeck coefficient. In this article, the thermoelectric, magnetic, electronic, and structural properties of ferrous pseudobrookite Fe2-xTi1+xO5 (x = 0, 0.5, and 1.0) compounds were calculated by first principle calculations. The electronic structures were computed

Doping bismuth oxychloride (BiOCl) with other elements can help improve its photocatalytic performance. The present study used a simple one-step hydrothermal method to synthesize tungsten-doped BiOCl nanosheets. The results showed the negligible effects of W-doping on the crystal structure, morphology and specific surface area of BiOCl. Diffuse reflectance spectroscopy (DRS), however, showed increases

The selection of a material of a particular application in spintronics requires that criteria of half-metallic should be fulfilled. The stability with adequate cohesive energy of the systems plays an important role. Apart from stability, magnetic moment must be adequate to store the information along with the appropriate presence of conducting channels at Fermi energy to conduct. Recently we have established

Amorphous molybdenum silicide compounds have attracted significant interest because of their potential applications in devices, particularly single-photon detectors. In this study, we measured the temperature-dependent resistance and magnetoresistance behavior of amorphous molybdenum silicide compounds to understand the charge transport mechanism, which is of great importance for applications but still

In this work, three renewable highly effective adsorbents (M-CS, M-CCL, M-CCSD) were prepared from agro-forestry residues (corn stalks (CS), Cinnamomum camphora leave (CCL) and Cinnamomum camphora saw dust (CCSD)) by eco-friendly solvent-free esterification with maleic anhydride (MA) for adsorptive removal of methylene blue (MB). The three carboxyl-rich adsorbents adsorbed MB rapidly and presented

The study of magnetic measurements and magnetic memory effect was performed on nanocrystalline single-phase powders of GdMnO3 synthesized by the sol–gel method. They were structurally characterized via X-ray diffraction patterns and scanning electron microscopy images. The sol–gel method was coupled with mixing and blending the material powder using two techniques: (a) agate mortar and (b) corn flour

Cobalt sulfide powders (CoS, Co9S8 and CoS1.97) were synthesized by solution combustion method using conventional and microwave heating routes. The powders were obtained using cobalt nitrate as both cobalt source and oxidizer together with proper amounts of thiourea as sulfidizing agent and glycine as an auxiliary reductant. Effects of thiourea and glycine amounts in conjunction with the type of combustion

2 M WS2 is a newly discovered metastable transition metal dichalcogenide (TMDs) material with the highest instinct superconducting transition temperature (Tc) of 8.8 K among all TMDs superconductors. Here we report the structural regulation of 2 M WS2 by Se-doping and careful investigation on the doping effect on superconducting property. The results show that cell volume expands from 217.66 Å3 to

Novel Bi2O4/NaBiO3 heterostructures were fabricated via a hydrothermal process. By controlling the reaction time, part of NaBiO3 could be in-situ transformed into Bi2O4, which endowed the obtained heterostructures with excellent interfacial contact. The heterostructures were characterized by using XRD, FT-IR, XPS, SEM, EDS mapping and DRS. Degradation of methyl orange (MO) and phenol was used to evaluate

The present study reveals a deep association between the effects of gamma rays in irradiated organic substances and the age of the material after exposure. The late effects of radiation-induced modifications in polymeric material were investigated by means of the infrared signature and correlation with ultraviolet absorption. Detectors made of poly(allyl diglycol carbonate) were irradiated with doses

A composite graphene oxide (GO)/nanocellulose aerogel was prepared by dispersing cellulose nanofibrils (CNFs) into GO nanosheets. CNFs with high aspect ratios and negative potential helped the exfoliation of GO flakes without the need of a chemical linker via steric hindrance and electrostatic repulsion. Water purification tests were performed using methylene blue (MB) and tetracycline (TC) as model

Tricalcium silicate (C3S) is a potential candidate as bone cement with excellent biological properties. However, the long setting time of C3S is not conducive to clinic applications. Simply considering hydration, it is possible to increase the consumption of the hydration products to accelerate hydration. Based on these considerations, phosphoric acid (PA), gluconic acid (GA) and citric acid (CA) were

We carried out a systematic study of electronic and local structures of Bi in topological insulating materials (Bi1-xSbx)2Te3 (0 < x < 0.6). X-ray absorption near-edge structure and extended X-ray absorption fine structure (EXAFS) measurements were used to extract information about the electronic and local structures around Bi. Analysis of the data revealed that Sb atoms were substituted for Bi sites