Materials Literature
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Catalytic conversion of hazardous gases can solve many of the environmental problems caused by them. We performed a density functional theory (DFT) study with the Perdew–Burke–Ernzerhof (PBE) functional to investigate the CO oxidation by using N 2 O as an oxidizing agent over an iron-embedded graphene (Fe-Graphene) ca…
It is found that Prussian Blue nanoparticles (PBNPs) possess a catalase-like activity to catalyse the breakdown of H2O2 into oxygen (O2) molecules under the neutral conditions (pH = 7.4). Based on this finding, we have developed a new strategy in which PBNPs can be excellent ultrasound (US) and magnetic-resonance (MR)…
We use self-consistent field theory (SCFT) to study the directed self-assembly of laterally confined diblock copolymers. In this study, we focus on systems in which the self-assembled lamellae are oriented parallel to selective sidewalls in a channel. While well-ordered, perfect lamellae are observed in narrow channel…
We analyze and compare the effect of spatial and spin anisotropy on spin conductivity in a two dimensional S=1/2 Heisenberg quantum magnet on a square lattice. We explore the model in both the Neel antiferromagnetic (AF) phase and the collinear antiferromagnetic (CAF) phase. We find that in contrast to the effects of…
We have investigated magnetoelastic effects in multiferroic YMnO(3) below the antiferromagnetic phase transition, T(N) ≈ 70 K, using neutron powder diffraction. The a lattice parameter of the hexagonal unit cell of YMnO(3) decreases normally above T(N), but decreases anomalously below T(N), whereas the c lattice param…
We examine the interdependence of structural and electronic properties of two substituted pyrene crystals by means of combined spectroscopic probes and density-functional theory calculations. Substituted pyrenes are useful model systems to unravel the interplay of crystal structure and electronic properties in organic…
In this work we study the effect of nitrogen (N) and fluorine (F) doping on the electronic properties of ZrO(2) by using ab initio electronic structure calculations. Our calculations show the importance of on-site Coulomb correlation in estimating the correct band gap of ZrO(2). The N and F doping provide hole- and el…
Nanoporous structures play a promising role in the development of nanomechanical, nanoelectrical and biosensing devices. In addition, nanopores can be utilized as chemical and gas sensors. TiO2 is a semiconductor material, which can have a wide range of applications in nanopore-based sensors. In this study, TiO2 nanop…
Bio-conjugated nanomaterials play a promising role in the development of novel supramolecular structures, molecular machines, and biosensing devices. In this study, lipid-conjugated gold nanoparticles were synthesized and allowed to form a self-assembled monolayer structure. The nanoparticles were prepared by a phase…
The design of two custom sample holders with a spherical cavity for commercial vibrating sample magnetometer systems is described. For such cavities the magnetization M and the internal magnetic field Hi of a sample are both homogeneous. Consequently, the material parameter M(Hi) of a sample can be determined even for…
Evidence for High Tc cuprate superconductivity is found in a region of the phase diagram where non-superconducting Fermi liquid metals are expected. Cu valences estimated independently from both x-ray absorption near-edge structure (XANES) and bond valence sum (BVS) measurements are > 2.3 for structures in the homolog…
In bismuth ferrite (BiFeO${}_{3}$), antiferromagnetic and ferroelectric order coexist at room temperature, making it of particular interest for studying magnetoelectric coupling. The mutual control of magnetic and electric properties is very useful for a wide variety of applications. This has led to an enormous amount…
The morphology of a growing crystal surface is studied in the case of an unstable two-dimensional step flow. Competition between bunching and meandering of steps leads to a variety of patterns characterized by their respective instability growth rates. The roughness exponent is shown to go from 1/2 to 1, between the p…
One-dimensional assembly of gold nanoparticles (see picture)is achieved by a sphere-to-cylinder transformation of polymer shells. A large amount of monomers remains after the assembly, which is characteristic of the chain-growth “polymerization”. Single-line chains can be converted to double-line chains, thus substant…
Using a magnetic Frederiks transition technique, we measure the temperature and concentration dependences of splay K1, twist K2, and bend K3 elastic constants for the lyotropic chromonic liquid crystal sunset yellow formed through noncovalent reversible aggregation of organic molecules in water. K1 and K3 are comparab…
Simple designs for polarization independent, metamaterial absorbers at mid-infrared wavelengths and over wide angle of incidence are evaluated computationally. One design consists of an array of circular metallic disks separated from a continuous metallic film by a dielectric film, and shows over 99.9% peak absorbance…
Hydroxy-functionalized polymersomes (or block copolymer vesicles) were prepared via a facile one-pot RAFT aqueous dispersion polymerization protocol and evaluated as Pickering emulsifiers for the stabilization of emulsions of n-dodecane emulsion droplets in water. Linear polymersomes produced polydisperse oil droplets…
The incorporation of PbSnS(2) in PbTe results in a tremendous reduction of the lattice thermal conductivity to 0.8 W/mK at room temperature, a reduction of almost 60% over bulk PbTe. Transmission electron microscopy reveals very high density displacement layers, misfit dislocations, and phase boundaries. Our thermal t…
Hierarchical three-dimensional (3D) vanadium oxide microstructures, including urchin-like microflowers, nanohorn-structured microspheres, nanosheet-assembled microflowers, and nanosheets bundles, are successfully synthesized by a versatile template-free solvothermal method. It is found that the concentration of the pr…
Separate gold and platinum nanoparticles simultaneously immobilized on a glass surface were used to study the kinetics of a catalytic reaction directly. Owing to the proximity of the platinum and gold nanoparticles, the analyte molecules can interact with the platinum nanoparticles whilst they reside in the local opti…