Materials Literature
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From first-principles calculations, we discover highly stable monolayer transition metal dichalcogenides (TMDs) ternary alloys consisting of group 5 and 7 transition metal elements. We show for Nb 1– x Re x S 2, Ta 1– x Re x S 2 and their selenide counterparts that the 1H ordered alloy structures for x ≤ 0.5 are therm…
Understanding enzyme stability and activity in extremophilic organisms is of great biotechnological interest, but many questions are still unsolved. Using 2-deoxy-D-ribose-5-phosphate aldolase (DERA) as model enzyme, we have evaluated structural and functional characteristics of different orthologs from psychrophilic,…
ABSTRACT Polyurethane (PU) production with the use of vegetable oils is greatly appreciated by researchers due to their low cost, easy availability, and nontoxic nature. The addition of TiO 2 in castor oil–based PU adhesive led to a remarkable enhancement in its mechanical and chemical resistance, an increase in T g v…
Three-dimensional graphene networks are emerging as a new class of multifunctional constructs with a wide range of potential applications from energy storage to bioelectronics. Their multifunctional characteristics stem from the unique combination of mechanical properties, electrical conductivity, ultra-low density, a…
The low-temperature electronic phase diagram of ${\mathrm{Ba}}_{1\ensuremath{-}x}{\mathrm{Na}}_{x}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$, obtained using high-resolution thermal-expansion and specific-heat measurements, is shown to be considerably more complex than previously reported, containing nine different phases. Be…
Waterborne polyurethanes (WPUs) with varying lengths of soft segment were synthesized and used to physically modify soy protein isolate (SPI), a protein with good film-forming ability and oxygen barrier characteristic but poor toughness and water resistance, via a simple blending technique without any compatibilizer.…
The development of natural adhesives derived from non-fossil resources is very important for the future. In this study, by taking sugarcane bagasse as the raw material, without using any synthetic resin but adding some eco-friendly additives (citric acid and sucrose), low density particleboards were successfully devel…
Chirality is integral to biological complexity. Chiral biomolecules are central to all fundamental recognition, conformational and replication functions in biological systems. Chirality also exists in living cells and higher order biological structures. Less is known about the cellular interactions with chirality, alt…
CONTEXT: Surface-modified pH-sensitive liposomal system may be useful for intracellular delivery of chemotherapeutics. OBJECTIVE: Achieving site-specific targeting with over-expressed hyaluronic acid (HA) receptors along with using pH sensitive liposome carrier for intracellular drug delivery was the aim of this study…
Kinetic Monte-Carlo simulation is applied to study the partial oxidation of methane over a nickel catalyst. Based on the Langmuir-Hinshelwood mechanism, the kinetic behavior of this reaction is analyzed and the results are compared with previous experiments. This system exhibits kinetic phase transitions between react…
We present an algorithm for the adaptive tetrahedral integration over the Brillouin zone of crystalline materials, and apply it to compute the optical conductivity, dc conductivity, and thermopower. For these quantities, whose contributions are often localized in small portions of the Brillouin zone, adaptive integrat…
We report the observation of colossal positive magnetoresistance (MR) in single crystalline, high mobility TaAs2 semimetal. The excellent fit of MR by a single quadratic function of the magnetic field B over a wide temperature range (T = 2-300 K) suggests the semiclassical nature of the MR. The measurements of Hall ef…
In order to investigate the mechanism of ferromagnetic ordering in the new $n$-type magnetic semiconductor (In,Fe)As codoped with Be, we have performed x-ray absorption spectroscopy and x-ray magnetic circular dichroism (XMCD) studies of ferromagnetic and paramagnetic samples. The spectral line shapes suggest that the…
Complex many-body interaction in perovskite manganites gives rise to a strong competition between ferromagnetic metallic and charge ordered phases with nanoscale electronic inhomogeneity and glassy behaviors. Investigating this glassy state requires high resolution imaging techniques with sufficient sensitivity and st…
The behavior of nanostructures under high strain-rate conditions has been object of interest in recent years. For instance, recent experimental investigations showed that at high velocity impacts carbon nanotubes can unzip resulting into graphene nanoribbons. Carbon nanoscrolls (CNS) are among the structures whose hig…
Diamond nanocrystals that host room temperature narrowband single photon emitters are highly sought after for applications in nanophotonics and bio-imaging. However, current understanding of the origin of these emitters is extremely limited. In this work we demonstrate that the narrowband emitters are point defects lo…
We suggest a phenomenological description of the photo-conversion in Ge-Sb-Te phase-change memory alloys from amorphous to crystalline phase which explains why both photo-excitation and high temperatures T > 160C are required for the transition from hexagonal to tetrahedral phase. The position of chemical potential at…
Carbon nanotubes (CNTs) and graphene are known to be good conductive fillers due to their favorable electrical properties and high aspect ratios and have been investigated for application as stretchable composite conductors. A stretchable conducting nanocomposite should have a small fraction of conductive filler mater…
Titanium dioxide nanoparticles (TiO2-NPs) are one of the most produced NPs in the world. Their toxicity has been studied for a decade using acute exposure scenarios, i.e. high exposure concentrations and short exposure times. In the present study, we evaluated their genotoxic impact using long-term and low concentrati…
Two zwitterionic-type ligands featuring π-π* and intraligand charge-transfer (ILCT) excited states, namely 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)dipyridinium-4-olate (TMPBPO) and 1-dodecylpyridin-4(1 H)-one (DOPO), have been prepared and applied to the assembly of lanthanide coordination complexes in a…