Materials Literature
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Atomic-sized lead (Pb) contacts are deposited and dissolved in an electrochemical environment, and their transport properties are measured. Due to the electrochemical fabrication process, we obtain mechanically unstrained contacts and conductance histograms with sharply resolved, individual peaks. Charge transport cal…
We use density functional theory based first-principles methods to study the magnetism in a 2D hexagonal BN sheet induced by the different concentrations of oxygen and silicon atoms substituting for nitrogen (O$_\mathrm{N}$) and boron (Si$_\mathrm{B}$) respectively. We demonstrate the possible formation of three disti…
Electronic and magnetic properties of VnBzn+1 sandwich clusters are investigated using density functional theory. Growth model is applied to investigate the property change of Vanadium-Benzene sandwich clusters. Our results show that, for n<8, all V ions tend to put their spin in ferromagnetic state, and that the magn…
The properties of organometallic wires [TM2(Ant)] constructed with transitional metals (TM = Sc, Ti, V, Cr, Mn and Fe) and anthracene (Ant) are investigated by first-principles calculations. As the gap between HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) of Ant is much small…
Using density-functional theory within the generalized gradient approximation, we investigate the interaction between atomic oxygen and Cu(100) and Cu(110) surfaces. We consider the adsorption of oxygen at various on-surface and subsurface sites of Cu(100) for coverages of 1/8 to 1 monolayers (ML). We find that oxygen…
Armor‐grade B 4 C and SiC specimens were analyzed for phase assemblage, microstructure, and mechanical properties. SiC–N showed the highest four‐point fracture strength, and an ∼50% higher notched beam fracture toughness than solid‐state sintered B 4 C and SiC. This was attributed to preferential crack propagation alo…
Chitosan is a polysaccharide formed mainly from repeating residues of D-glucosamine, having primary amino groups. It is of great interest not only as an underutilized resource, but also as a new functional material of high potential in various fields, and recent progress in chitin chemistry is quite noteworthy. The pu…
We show that Clar's theory of the aromatic sextet is a simple and powerful tool to predict the stability, the pi-electron distribution, the geometry, and the electronic/magnetic structure of graphene nanoribbons with different hydrogen edge terminations. We use density functional theory to obtain the equilibrium atomi…
We use density functional theory (DFT) with a recently developed van der Waals density functional (vdW-DF) to study the adsorption of graphene on Co, Ni, Pd, Ag, Au, Cu, Pt, and Al(111) surfaces. In contrast to the local-density approximation (LDA) which predicts relatively strong binding for Ni,Co, and Pd, the vdW-DF…
Polymer networks possessing reversible covalent crosslinks constitute a novel material class with the capacity for adapting to an externally applied stimulus. These covalent adaptable networks (CANs) represent a trend in polymer network fabrication towards the rational design of structural materials possessing dynamic…
Electrochemical etching of NiTi alloy in a pH 6 fluoride solution is proposed as a convenient alternative to chemical etching in oxidizing HF media. Anodization produces protons at the electrode surface, and local acidification increases the concentration of HF that efficiently dissolves the surface oxides, promoting…
In this article, we demonstrate the synthesis of dendrimer-like gold nanoparticles (DGNs) by an electrochemical method using micelle templates formed by two surfactants with various amounts of toluene solvent, the primary surfactant being hexadecyltrimethylammonium bromide (CTAB) and the cosurfactant being tetradodecy…
We report for fabricating moth-eye antireflection gratings on silicon carbide substrates using a silica mask inverted from hydrogen silsesquioxane (HSQ) technique. We demonstrate optical properties of subwavelength structure on 4H-SiC. The micro-cone array is fabricated by an ECR-reactive ion etching using Cl2-O2 plas…
Some achievements in the interesting areas of metal nanoparticles (NPs) will be considered on the basis of methods of electrochemistry, namely, the development of preparation and stabilization methods of metal clusters (0, +1) and their derivatives in a solution with the help of classical ligands, rezorcinarenes, etc.…
Various metal ions (Na+, Ca2+, Co2+, Ni2+, and Pb2+) were intercalated between the manganese oxide layers grown anodically on a Pt substrate. The films were subjected to a repetitive charge-discharge cycle test in an aqueous electrolyte of Na2SO4 between 0 and +0.8 V (vs Ag/AgCl). When the number of cycles increased,…
Abstract Polyacetal copolymers were prepared by cationic ring‐opening copolymerizations of 1,3,5‐trioxane (TOX) with 1,3‐dioxolane (DOX), and polyacetal terpolymers were prepared by terpolymerizations of TOX, DOX, and 2‐ethylhexyl glycidyl ether (EHGE). Polyacetal polymers with three different structures such as polya…
Abstract The S = 1/2 antiferromagnetic Heisenberg chain exhibits a magnetic field driven quantum critical point. We study the low frequency spin dynamics in copper pyrazine dinitrate (CuPzN), a realization of this model system of quantum magnetism, by means of 13C‐NMR spectroscopy. Measurements of the nuclear spin–lat…
Abstract Modified polypropylene was prepared by blending with potassium titanate whisker (PTW) and 10 w/w% talc via Haake extruder followed by injection molding. Reinforced with both PTW and talc, the PP composites exhibited better mechanical properties. The tensile modulus and flexural modulus of PP composites tend t…
We use molecular dynamics to characterize the martensitic nanostructure that develops when bcc Zr nanowires are cooled down and transform to hcp (martensite). We find that size has a strong effect on nanostructure and even very small wires (a few nanometers in diameter) exhibit complex, multidomain structures with lar…
A fivefold increase in adhesion energy is observed for poly(acrylic acid) (PAA) modified Cu/TaN interfaces in which the thin copper films are deposited by the hydrogen assisted reduction of bis(2,2,7-trimethyloctane-3,5-dionato) copper in supercritical carbon dioxide. The PAA adhesion layer is sacrificial at the react…