Materials Literature
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In this study, a precipitation method was used to synthesise ZnO nanoparticles using suitable precursors. An efficient surface modification method was proposed in order to reduce the agglomeration among synthesised small sized ZnO nanoparticles using 2-aminothiophenol as a capping agent. This article briefly investiga…
New pyridine-functionalised pyrazole compounds [Hpz(R(n)py)] (R(n) = C(6)H(4)OC(n)H(2n+1); n = 12, 14, 16, 18; 1-4) and their corresponding silver complexes [Ag(Hpz(R(n)py))(2)][A] ([A] = NO(3)(-), BF(4)(-); ) have been synthesised and characterised. All of them, with the exception of 1, are liquid crystal materials e…
We combine transport experiments, advanced ab initio calculations, and model analysis to determine the thermoelectric power in the two-dimensional electron gas formed at the paradigmatic oxide interface SrTiO${}_{3}$/LaAlO${}_{3}$. We demonstrate that contrary to popular expectation, quantum confinement does not enhan…
$D{0}_{3}$-ordered Fe${}_{3}$Si, which is one of the ferromagnetic Heusler compounds, has so far been formed by high-temperature heat treatments. Here, we demonstrate room-temperature $D{0}_{3}$ ordering of Fe${}_{3}$Si films grown on Ge(111) by using a molecular beam epitaxy (MBE) technique. In our MBE conditions, hi…
A novel one-step cation exchange approach has been developed to prepare ZnO-decorated ZnSe nanorods (ZnSe-ZnO NRs), a prototype type-II semiconductor nanoheterostructure. Because of the staggered band offset which promoted effective charge separation, the as-synthesized ZnSe-ZnO NRs exhibited remarkable photocatalytic…
The effect of ionic surfactants and manufacturing methods on the separation and distribution of multi-wall carbon nanotubes (CNTs) in a silicone matrix are investigated. The CNTs are dispersed in an aqueous solution of the anionic surfactant dodecylbenzene sulfonic acid (DBSA), the cationic surfactant cetyltrimethylam…
Silver niobate AgNbO 3 is the important mother compound of lead-free ferroelectric AgNbO 3 –based materials and photocatalyts. The AgNbO 3 has the ferrielectric structure with orthorhombic Pmc 2 1 space group, but the origin of the ferrielectricity of AgNbO 3 is unclear. Here, we report the results of electronic-struc…
Defects in LiFeAs are studied by scanning tunneling microscopy and spectroscopy (STS). Topographic images of the five predominant defects allow the identification of their positions within the lattice. The most commonly observed defect is associated with an Fe site and does not break the local lattice symmetry, exhibi…
Using the first-principles method, we investigate the energetic stability, dynamic stability and electronic properties of two viable three-dimensional (3D) carbon semiconductors with an entirely sp(2) configuration, sp(2)-diamond and cubic-graphite. Both allotropes are more stable than the previously proposed K4-carbo…
The role of quantum mechanical atom tunneling during the conversion of glutamate to methylaspartate catalyzed by glutamate mutase is investigated by quantum mechanical/molecular mechanical (QM/MM) simulations based on coupled cluster and density functional calculations. The use of instanton theory allows us to calcula…
The dependence of field-on and field-off hysteresis loop shape in Piezoresponse Force Microscopy (PFM) on driving voltage, Vac, is explored. A nontrivial dependence of hysteresis loop parameters on measurement conditions is observed. The strategies to distinguish between paraelectric and ferroelectric states with smal…
In contrast to all known shape memory polymers, the melting temperature of crystals in shape memory natural rubber (SMNR) can be greatly manipulated by the application of external mechanical stress. As shown previously, stress perpendicular to the prior programming direction decreases the melting temperature by up to…
The miscibility of polyethylene terephthalate (PET)/polylactide (PLA) blends is studied through atomistic molecular dynamics (MD) and mesoscale dissipative particle dynamics (DPD) simulation. Five PET/PLA blends (with the weight ratio at 90/10, 70/30, 50/50, 30/70 and 10/90) as well as pure PET and PLA are examined. T…
Phase-change materials can be reversibly switched between amorphous and crystalline states and often show strong contrast in the optical and electrical properties of these two phases. They are now in widespread use for optical data storage, and their fast switching and a pronounced change of resistivity upon crystalli…
Conjugated polymers are the primary blocks for organic electronics. Traditionally, conjugated polymers synthesized via Suzuki, Heck, and Stille couplings are catalyzed by soluble homogeneous ligated palladiums, which suffer the contaminations of residual nano-palladium and phosphine impurity resulting from side reacti…
No effective clinical treatment currently exists for traumatic spinal cord injury. Cell replacement therapy holds promise for attaining functional repair. Cells may be delivered directly or near the injury site; however, this strategy requires a delivery vehicle to maintain cell viability. We have identified an inject…
Surface energies have postulated importance to catalysis, crystal growth, sintering, polymorphism, and many other fields. This importance is even more critical when dealing with nanostructured materials, where the surface-to-volume ratio is considerably higher and the surface term accounts for a much larger fraction o…
BACKGROUND: Collagen has proved valuable as biomedical materials for a range of clinical applications, particularly in wound healing. It is normally produced from animal sources, such as from bovines, but concerns have emerged over transmission of diseases. Recombinant collagens would be preferable, but are difficult…
An icosahedral closo-B(12)(2-) scaffold supports 12 copies of Gd(3+)-chelate held in close proximity with each other by suitable linkers which employ azide-alkyne click chemistry. This design is the first member of a new class of polyfunctional MRI contrast agents carrying a high payload of Gd(3+)-chelate in a sterica…
We report on an experimental and simulation campaign aimed at exploring the radiation response of nanoporous Au (np-Au) foams. We find different defect accumulation behavior by varying radiation dose-rate in ion-irradiated np-Au foams. Stacking fault tetrahedra are formed when np-Au foams are irradiated at high dose-r…