Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Abstract The influence of external pressure on the structural properties of manganese monophosphides (MnP) at room temperature has been studied using in situ angle dispersive synchrotron x-ray powder diffraction (AD-XRD) with a diamond anvil cell. The crystal structure of MnP is stable between 0 to 15 GPa. However, th…
In this work, the structure, ionization energies, electron affinity, frontier orbitals analysis, and octahedral field splitting parameter of [M(CO)6] n (M = V–, Cr, Mn+, Fe2+) complexes in the gas phase were computed at MPW1PW91/qzvp level of theory. Also, the effect of solvent on structural parameters, frontier orbit…
Cyclic voltammetry, chronoamperometry in conjunction with scanning electron microscopy and atomic force microscopy techniques have been performed to study the anodic electrodeposition behavior of ceria films onto 316L stainless steel substrate. Results show that the deposition process of ceria is controlled by diffusi…
The electronic structures, densities of state and electrical and optical conductivities of monolayer and bilayer silicene sheets are investigated using tight-binding approximation and Green’s function method. We found that applying the electric field on doped bilayer silicene leads to band structure modification. For…
Graphene oxide (GO) and GO-TiO2nanocomposite was produced then reduced under pulse laser irradiation (RGO–TiO[Formula: see text]. Basic blue 41 (bb41) dye was removed from aqueous solutions by using RGO–TiO2nanocomposites. The UV–Vis absorption and FTIR analysis were utilized to confirm the reduction of GO-TiO2to RGO–…
We investigated the effects of carbon and silicon vacancies on the electronic structure and optical properties of pure silicon carbide (SiC) bulks and nanowires (NWs) based on density functional theory in CASTEP module. Calculation results showed that vacancies only slightly influenced structure and stability, particu…
The reactivity of a Pd monolayer epitaxially grown on Ru(0001) toward O2 has been investigated by molecular beam techniques. O2 initial sticking coefficients were determined using the King and Wells method in the incident energy range of 40–450 meV and for sample temperatures of 100 K and 300 K, and compared to the co…
We report the reversible photochemical transformation of sulfur–hydrogen mixture to (H 2 S) 2 H 2, which occurs through an expanded state of photoactive a -S phase of sulfur at 4 GPa. Upon further compression, the photoproduct (H 2 S) 2 H 2 undergoes a phase transition at 17 GPa, and 40 GPa. The pressure-induced Raman…
Influence of 3-amino-5-methylthio-1H-1,2,4-triazole (AMTTA) concentration on the corrosion of C45 mild steel in acid chloride solutions were studied. The potentiodynamic (PD) polarization, electrochemical impedance spectroscopy (EIS) methods and quantum chemical calculations were used. The surface morphology of specim…
A study on the use of Mentha spicata (M. spicata) as eco-friendly inhibitor for the corrosion of 1018 carbon steel in sulfuric acid was performed with the use of potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS) measurements at 25, 40 and 60 0 C. Results have shown that M. spicata is…
The interaction between porous spherical nanocluster polyoxometalate and water-soluble nonionic polymers (polyvinyl alcohol and polyethylene glycol) in the compositions of film is studied via calorimetry. The concentration dependences of the enthalpies of these processes are obtained using calculations based on the th…
The effect of ionic strength and pH on the structure of hydrated plasma polymerized films of allylamine (ppAAm) and acrylic acid (ppAAc) has been analyzed in situ using quartz crystal microbalance with dissipation techniques, electrochemical impedance spectroscopy, ellipsomtery, and X-ray photoelectron spectroscopy. B…
Mesoscopic, nanoporous carbon tubes were synthesized by a combination of the Stoeber process and the use of electrospun macrosized polystyrene fibres as structure directing templates. The obtained carbon tubes have a macroporous nature characterized by a thick wall structure and a high specific surface area of approxi…
A comprehensive, yet simple, theoretical model for droplet microemulsions is presented. The model combines thermodynamics of self-assembly with bending elasticity theory and relates microemulsion properties, such as average droplet size, polydispersity, interfacial tension and solubilisation capacity with the three be…
The kinetics and mechanism of the antioxidative action of С 60 fullerene are studied via highly sensitive manometry and kinetic spectrophotometry, based on the example of a model reaction of the initiated oxidation of 1,4-dioxane. The adequacy of the proposed mechanism according to the experimental data is analyzed by…
The convergence of nucleus-centered multipolar expansion of the quantum-chemical electron density (QC-ED), gradient, and Laplacian is investigated in terms of numerical radial functions derived by projecting stockholder atoms onto real spherical harmonics at each center. The partial sums of this exact one-center expan…
Effects of beta‐cyclodextrin (β‐CD), chitosan, and collagen on tocopherol and oxidative stability in heated oils were determined under moisture added condition at 180°C in this study. Collagen was added in the form of a mesh structure with different pore sizes (50, 100, 200, and 300 μm) whereas chitosan was added in t…
The dissolution and diffusion behaviors of H in the four low-Miller-index W surfaces ((110), (112), (100) and (111)) are systematically studied by the density functional theory approach to understand the orientation dependence of the H bubble distribution on surface. The results show that H accumulation on surface is…
Static, vibration, and buckling analysis of nanobeams is studied based on modified couple stress theory (MCST) in this chapter. The inclusion of an additional material parameter enables the new beam model to capture the size effect. The new nonclassical beam model reduces the classical beam model when the length scale…
Thermally stimulated depolarization current (TSDC) and highly accelerated lifetime testing studies of (Pb0.925-xLa0.05Bax)(Zr0.52Sn0.39Ti0.09)O3 (PLBZST) antiferroelectric ceramics have been performed for three compositions with different barium contents. These studies have revealed that barium substitution increases…