Materials Literature
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The effects of hydration on the solvation, diffusivity, solubility, and permeability of oxygen molecules in sustainable, biodegradable chitosan/chitin food packaging films were studied via molecular dynamics and confined random walk simulations. With increasing hydration, the membrane has a more homogeneous water dist…
This paper reports the behavior of 13X zeolite supported Ce, Cu, Co, Ag and Mn metal oxides toward ozone catalytic oxidation (OZCO) of toluene and the influence of moisture on the decomposition process. The simple impregnation method was adapted to disperse the metal oxides and found highly active for toluene oxidatio…
Abstract Structural, magnetic and electronic properties of stoichiometric Co 2 YZ Heusler alloys ( Y = Cr, Fe, Mn and Z = Al, Si, Ge) have been studied by means of ab initio calculations and Monte Carlo simulations. The investigations were performed in dependence on different levels of approximations in DFT (FP and AS…
XPS determination of the oxygen coefficient kO = 2 + x and ionic (U(4+), U(5+), and U(6+)) composition of oxides UO2+x formed on the surfaces of differently oriented (hkl) planes of thin UO2 films on LSAT (Al10La3O51Sr14Ta7) and YSZ (yttria-stabilized zirconia) substrates was performed. The U 4f and O 1s core-electron…
There are several areas in which textiles have been highly desirable due to their specific and high performance for many industries and sectors including in civil engineering, automobile, medicine, filtration, and electronics. Polymer used has a significant effect on the properties of meltblown nonwovens. Polypropylen…
Liquid crystals, when confined to a spherical shell, offer fascinating possibilities for producing artificial mesoscopic atoms, which could then self-assemble into materials structured at a nanoscale, such as photonic crystals or metamaterials. The spherical curvature of the shell imposes topological constraints in th…
Abstract The development of novel catalysts based on metal clusters requires a rational design principle as well as atomically precise synthetic methods. Toward this goal, we have developed a method to precisely and independently control the size, composition, and surface modification of heterogeneous gold clusters by…
Solid-state diffusion is often the primary limitation in the synthesis of crystalline inorganic materials and prevents the potential discovery and isolation of new materials that may not be the most stable with respect to the reaction conditions. Synthetic approaches that circumvent diffusion in solid-state reactions…
The surface stability of all possible terminations for three low-index (100, 110, 111) structures of spinel MgAl 2 O 4 was studied using a first-principles-based thermodynamic approach. The surface Gibbs free energy results indicate that the 100_AlO 2 termination is the most stable surface structure under ultrahigh va…
Excimers are evanescent quasi-particles that typically form during collisional intermolecular interactions and exist exclusively for their excited-state lifetime. We exploited the distinctive structure of metal quantum clusters to fabricate permanent excimer-like colloidal superstructures made of ground-state noninter…
The buckling of elastically restrained embedded microbeam under axial compression load is researched. The effects of small size, axial compression load and surrounding elastic medium are taken into account at the same time. Winkler elastic foundation approach is used to simulate the interaction between microbeam and e…
Although the term nanozymes was coined by us in 2004 to highlight the enzyme-like properties of gold nanoparticles passivated with a monolayer of Zn(II)-complexes in the cleavage of phosphate diesters, systems resembling those metallo-nanoparticles, like micelles and vesicles, have been the subject of investigation si…
The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully e…
The thickness-dependent surface states of MoS2 thin films grown by the chemical vapor deposition process on the SiO2-Si substrates are investigated by X-ray photoelectron spectroscopy. Raman and high-resolution transmission electron microscopy suggest the thicknesses of MoS2 films to be ranging from 3 to 10 layers. Bo…
The high production costs of titanium in comparison to other structural metals is the main limiting factor for the wide employment of titanium. Cost reduction can be addressed considering creative fabrication methods and/or formulating new chemical compositions. In this work the fabrication of low-cost iron-containing…
Pseudocapacitive materials are critical to the development of supercapacitors but usually suffer from poor conductivity and bad cycling property. Here, we describe the production of novel graphene oxide nanofibers (GONFs) via a partial oxidization and exfoliation method and concurrently report that highly crystallized…
BACKGROUND: The concerted action of three complementary cellulases from Clostridium thermocellum, engineered to be stable at elevated temperatures, was examined on a cellulosic substrate and compared to that of the wild-type enzymes. Exoglucanase Cel48S and endoglucanase Cel8A, both key elements of the natural cellulo…
In an attempt to reduce the reliance on fossil fuels, associated with severe environmental effects, the current research is focused on the identification of the thermoelectric potential of n-type Pb1−xTixTe alloys, with x values of up to 3%. A solubility limit of 0.5 at. % Ti in PbTe was identified, while beyond this…
Hierarchical, N-doped carbon nanosheets with very promising capacitive performance are prepared using a straightforward procedure.
Abstract The design and synthesis of aggregation-induced emission (AIE) luminogens have attracted rapidly growing interest owing to the fundamental significance and diverse applications in mechanosensors, optical recording, security papers, and optoelectronic devices. In this contribution we report design and synthesi…