Materials Literature
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The nature and symmetry of the transition mechanisms in the spin-spiral copper halides CuCl$_2$ and CuBr$_2$ are analyzed theoretically. The magnetoelectric effects observed in the two multiferroic compounds are described and their phase diagram at zero and applied magnetic fields are worked out. The emergence of the…
Atomically flat semiconductor nanostructures have sharp photoluminescence emission, short radiative lifetimes and a well-defined planar structure. However, these nanostructures lack the optical and electronic fine-tuning that justify extensive research in colloidal quantum dots. Here, we propose a heterostructure base…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without s…
The energy spectrum of vacancies in n-type bulk crystals of undoped arsenides: InAs, GaAs, CdSnAs2 and CdGeAs2 has been investigated upon the data on pressure and temperature dependences of kinetic coefficients. It is concluded, that deep donor levels correspond to native vacancies of arsenic in these semiconductor ma…
Water confined between two layers with separation of a few Angstrom forms layered two- dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between graphene layers which is…
The magnetic properties and the magnetocaloric effect (MCE) in TmZn have been studied by magnetization and heat capacity measurements. The TmZn compound exhibits a ferromagnetic state below a Curie temperature of TC = 8.4 K and processes a field-induced metamagnetic phase transition around and above TC. A giant revers…
The design of core–shell materials affords additional degrees of freedom to tailor functional properties as compared to solid solution counterparts. Although to date most of the work in core–shell materials has focused on dielectrics, piezoelectric core–shell ceramics may gain similar interest. Generalities of core–sh…
Multiple-exciton generation-a process in which multiple charge-carrier pairs are generated from a single optical excitation-is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley-Queisser limit. One-dimensional nanostructures, for example nanorods, have be…
Microporous, pillared graphene-based frameworks are generated in a simple functionalization/coupling procedure starting from reduced graphene oxide. They are used for the fabrication of high-performance supercapacitor devices.
Molecular ferroelectrics with high-temperature reversible phase-transition behaviors are very rare and have currently become one of the hotspots in the field of ferroelectric materials. Herein we display two new crown ether clathrates possessing unusual high-temperature ferroelectric phase-transition behaviors, cycloh…
A bulk dielectric polymer film with an intrinsic ultralow k value of 1.52 at 10 kHz has been successfully synthesized based on a novel polyimide FPTTPI. More importantly, such outstanding dielectric properties remain stable up to 280 °C. The excellent ultralow dielectric properties are mainly because of the larger fre…
High-quality large-sized hexagoal WSe2 crystals can be grown on dielectric substrates using atmospheric chemical vapor deposition in the presence of hydrogen gas. These hexagonal crystals (lateral width >160 um) have a carrier mobility of 100 cm(2) V(-1) s(-1) and a photoresponsivity of ≈1100 mA W(-1), which is compar…
The application potential of cellulose nanofibril (CNF) aerogels has been hindered by the slow and costly freeze‐ or supercritical drying methods. Here, CNF aerogel membranes with attractive mechanical, optical, and gas transport properties are prepared in ambient conditions with a facile and scalable process. Aqueous…
One-way propagation of light, analogous to the directional flow of electrons in the presence of electric potential difference, has been an important goal in the wave-matter interaction. Breaking time-reversal symmetry in photonic flows is faced with challenges different from those for electron flows. In recent years s…
Recently, there has been a great deal of interest in using the photoisomerization of azobenzene compounds to control specific biological targets in vivo. These azo compounds can be used as research tools or, in principle, could act as optically controlled drugs. Such "photopharmaceuticals" offer the prospect of target…
<p>Semicontinuous gold films 4 nm to 12 nm thick were characterized using patterned coplanar waveguides over a frequency range of 100 MHz to 20 GHz. Such films can form two dimensional fractal aggregates mixed with dielectric voids with unusually large electromagnetic absorption. Surface conductance and microwav…
We investigate the catalytic activity of the subnanometer-sized bimetallic Au19Pt cluster for oxidation of CO via first-principles density functional theory calculations. For this purpose we consider two structurally similar and energetically close homotops of the Au19Pt cluster with the Pt atom occupying an edge (Td-…
ABSTRACT The delivery of sub‐micron droplets of dilute polymer solutions to a heated substrate by electrospray atomization enabled precisely controlled and continuous deposition, or growth, of block copolymer thin films. It also provided, in principle, the ability to fabricate heterolattice materials using sequential…
The geometry and internal packing of twisted ropes composed of carbon nanotubes (CNTs) are considered, and a numerical solution in the context of the mesoscopic distinct element method (MDEM) is proposed. Compared to the state of the art, MDEM accounts in a computationally tractable manner for both the deformation of…
In this work, we have devised a new approach to measure the critical pressure that a liquid marble can withstand. A liquid marble is gradually squeezed under a mechanical compression applied by two parallel plates. It ruptures at a sufficiently large applied pressure. Combining the force measurement and the high-speed…