Materials Literature
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Using first-principles calculations, we show that substitution of sulfur (anion) in the oxygen site of tetragonal potassium niobate perovskite (KNbO3) leads to a highly polar and very stable ferroelectric (FE) state. It was found that KNbO2S possesses a spontaneous polarization of 0.80 C/m2, twice that of the mother F…
The corrosion behavior of commercial aluminum in HCl was investigated by gravimetric method in absence and presence of date palm leaf extract (DPLE) as inhibitor. Corrosion rates in absence of extract ranged from 2.4-8.0 mg/cm2/h in the temperature range 20- 50ºC but decreased down to 0.30-2.6 mg/cm2/h in presence of…
When it comes to spinning polymer fibers, spiders are much better than scientists. However, the authors have narrowed the gap: Extensive simulations show that for by judiciously oscillating the spinneret, instabilities can be tamed and extremely thin fibers can be extracted. Remarkably, this effect is independent of t…
Ionic species in aqueous solutions alter protein solubility and aggregation behavior through a variety of complex interactions.
We study the effect of Coulomb interactions on the low-energy band structure of single-layer transition metal dichalcogenide semiconductors using an effective low-energy model. We show how a large conduction band spin splitting and a spin dependent Fermi velocity are generated in ${\mathrm{MoS}}_{2}$, as a consequence…
We propose that bilayer graphene can provide an experimental realization of deconfined criticality. Current experiments indicate the presence of N\'eel order in the presence of a moderate magnetic field. The N\'eel order can be destabilized by application of a transverse electric field. The resulting electric field in…
Au–Pt bimetallic nanocomplexes were synthesized and the composition and morphology of the nanocomplexes could be easily controlled by a facile synthesis method.
Utilizing the insulator-metal phase transition of vanadium dioxide (VO2) crystal films, we develop a dual-functional sensor based on the coupling between VO2 nano-crystal films and Ag nanoparticles, which can probe fluorescence or Raman signals on the same substrate and it is switchable by changing temperature. At roo…
The microphase separation of side chain liquid crystalline (SCLC) block copolymers was studied using dissipative particle dynamics (DPD) simulations.
In this paper, we investigated electronic, optic, elastic, dynamic and thermodynamic properties of RbAu compound by density functional theory within the generalized gradient approximation. The calculated static value of real part of dielectric constant is 6.7. The calculated electronic band structure of RbAu shows tha…
CO oxidation on the Cu <sub>2</sub> O–Au interface at Au–Cu alloy surfaces.
We report a simple and efficient protocol for fabrication of colloidal hollow silver nanospheres of size less than 30 nm using an ABC triblock copolymer poly(styrene-b-vinyl-2-pyridine-b-ethylene oxide) in the absence of any reducing agents. The colloidal silver hollow nanoparticles serve as an efficient heterogeneous…
The choice of linking diamine has profound influence on the solubility of triazine dendrimers.
In this article, butyl rubber (IIR) was blended with ethylene-vinyl acetate copolymer (EVA) through a molten method. In the blends, IIR is beneficial to the crystallization of EVA, while EVA confined the molecular motions of IIR.
An air-stable iron(ii) chain compound [Fe(phen)(Cl)2]n (, phen = 1,10-phenanthroline) was prepared and exhibits intrachain ferromagnetic interactions as well as competing interchain antiferromagnetic interactions that are mediated by π-π stacking of the phen ligands, resulting in metamagnetic behaviour. The interchain…
We present the high pressure (up to 3 GPa) dielectric spectroscopy study of ethanol in supercooled liquid and solid states. It was found that ethanol can be obtained in the glassy form by relatively slow cooling in the pressure range below 1.5 GPa. Glassy dynamics of ethanol is dominated by hydrogen bonds which cause…
ABSTRACT We study the effect of homopolymer A or B matrix on the conformations and effective interactions of AB diblock copolymer grafted particles using coarse‐grained molecular dynamics simulations. In an A homopolymer matrix we observe patchy conformations within the AB diblock copolymer grafted layer, where the nu…
We report the new functionality of room temperature ferromagnetism in CuO-ZnO heterostructures. Magnetic measurement results indicate the CuO-ZnO heterostructures show enhanced ferromagnetism contrary to the pure CuO (ZnO) and the observed ferromagnetism is proportional to the interface counts for the film-heterostruc…
Step-growth alternating interfacial polymerization between two miscible or immiscible monomer melts is investigated theoretically and by dissipative particle dynamics simulations. In both cases the kinetics for an initially bilayer system passes from the reaction to diffusion control. The polymer composed of immiscibl…
In this study, monoclinic ZrO2 nanoparticles were successfully prepared using a hydrothermal process. When phenol was added to the resulting solution for the hydrothermal reaction, ZrO2/phenol formaldehyde (PF) resins with tetragonal ZrO2 crystalline phases were synthesized. Tetragonal ZrO2 crystalline phases favor gr…