Materials Literature
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It is shown that a two-component percolation model on a simple cubic lattice can explain an experimentally observed behavior [Savage et al., Sens. Actuators B 79, 17 (2001); Sens. Actuators B 72, 239 (2001).], namely, that a network built up by a mixture of sintered nanocrystalline semiconducting n and p grains can ex…
The effect of a local shear transformation on plastic deformation of a three-dimensional amorphous solid is studied using molecular dynamics simulations. We consider a spherical inclusion, which is gradually transformed into an ellipsoid of the same volume and then converted back into the sphere. It is shown that at s…
Molybdenum disulfide is considered as one of the most promising two-dimensional semiconductors for electronic and optoelectronic device applications. So far, the charge transport in monolayer molybdenum disulfide is dominated by extrinsic factors such as charged impurities, structural defects and traps, leading to muc…
Two-dimensional atomic crystals are extensively studied in recent years due to their exciting physics and device applications. However, a molecular counterpart, with scalable processability and competitive device performance, is still challenging. Here, we demonstrate that high-quality few-layer dioctylbenzothienobenz…
Spin and lattice dynamics of ${\mathrm{CaMn}}_{7}{\mathrm{O}}_{12}$ ceramics were investigated using infrared, THz, and inelastic neutron scattering (INS) spectroscopies in the temperature range 2 to 590 K, and, at low temperatures, in applied magnetic fields of up to 12 T. On cooling, we observed phonon splitting acc…
Soft particles are known to overlap and form stable clusters that self-assemble into periodic crystalline phases with density-independent lattice constants. We use molecular dynamics simulations in two dimensions to demonstrate that, through a judicious design of an isotropic pair potential, one can control the orderi…
Magnetocaloric materials can be useful in magnetic refrigeration applications, but to be practical the magneto-refrigerant needs to have a very large magnetocaloric effect (MCE) near room temperature for modest applied fields (<2 Tesla) with small hysteresis and magnetostriction, and should have a complete magnetic tr…
We introduce interatomic potentials for tungsten in the bcc crystal phase and its defects within the Gaussian Approximation Potential (GAP) framework, fitted to a database of first principles density functional theory (DFT) calculations. We investigate the performance of a sequence of models based on databases of incr…
Colloidal suspensions that are out of thermodynamic equilibrium undergo physical aging wherein their structure evolves to lower the free energy. In aqueous suspension of Laponite, physical aging accompanies increases of elastic and viscous moduli as a function of time. In this work, we study temporal evolution of elas…
Two-dimensional (2D) materials open up tremendous opportunities for attractive applications in next-generation flexible and transparent nanoelectronic devices. In this work, the structural and electronic properties of 81 single layer structures are systematically examined for the 27 zinc-blende (ZB) materials with the…
China has the world's largest polyvinyl chloride (PVC) production capacity, comprising over 20 Mt a −1 and occupying 41% of the world production capacity.
Nematic-like and helicoidally orientational self-assemblies of gold nanorods co-dispersed with cellulose nanocrystals to form liquid crystalline phases are developed. Polarization-sensitive extinction spectra and two-photon luminescence imaging are used to characterize orientations and spatial distributions of gold na…
Transparent chemical gas sensors are assembled from a transparent conducting film of hierarchically nanostructured polyaniline (PANI) networks fabricated on a flexible PET substrate, by coating silver nanowires (Ag NWs) followed by the in situ polymerization of aniline near the sacrificial Ag NW template. The sensor e…
Vanadium dioxide (VO2) films with moth-eye nanostructures have been fabricated to enhance the thermochromic properties with different periodicity (d) to achieve antireflection (AR). It is revealed that the films with smaller d (210 and 440 nm) could increase both the luminous transmission (Tlum) and infrared transmiss…
In this work, self‐supporting three‐dimensional hierarchical nanostructured MoS 2 @Ni(OH) 2 nanocomposites are synthesized via a facile single‐mode microwave hydrothermal technique. The fabricated MoS 2 @Ni(OH) 2 nanocomposites for supercapacitors in aqueous electrolyte exhibit higher specific capacitance and better c…
${\mathrm{SrAl}}_{2}{\mathrm{O}}_{4}:\mathrm{Eu},\mathrm{Dy}$ is presumably the best known persistent luminescent phosphor. At room temperature, its green emission remains visible for hours after switching off the excitation. It is known that upon lowering the temperature of the phosphor a second photoluminescence emi…
Boron carbide (B4C) is very hard, but its applications are hindered by stress-induced amorphous band formation. To explain this behavior, we used density function theory (Perdew-Burke-Ernzerhof flavor) to examine the response to shear along 11 plausible slip systems. We found that the (0111)/<1101> slip system has the…
The mechanical properties of single-layer black phosphrous under uniaxial deformation are investigated using first-principles calculations. Both Young's modulus and the ultimate strain are found to be highly anisotropic and nonlinear as a result of its quasi-two-dimensional puckered structure. Specifically, the in-pla…
A simple hydrothermal method was applied to prepare carbon nanodots (C dots) from o-phenylenediamine (OPD). The C dots exhibit photoluminescence at 567 nm when excited at 420 nm. In the presence of Cu(2+) ions, the colour of C dots changes from yellow to orange, with an increased PL intensity as a result of the format…
By utilizing the vector nature of light as well as the inherent anisotropy of artificial meta-atoms, we investigate parity time symmetry breaking in polarization space using a metasurface with anisotropic absorption, whose building blocks consist of two orthogonally orientated meta-atoms with the same resonant frequen…