Materials Literature
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Our first-principles calculations reveal surprisingly high sensitivity of the field-induced energy gap of bilayer graphene to changes in its interlayer spacing. Small adjustments in the interlayer spacing near its equilibrium value produce large modulations in the gap over a wide range of field strength. We elucidate…
The Ni44.1Mn44.2Sn11.7 ribbons were prepared by melt spinning. A single-phase austenite with L21 structure was confirmed in the melt-spun ribbons at room temperature. After the heat treatment, the martensitic transformation temperature increases obviously in the annealed ribbons. This method may be an effective way to…
Diamondoids and their derivatives have found major applications as templates and as molecular building blocks in nanotechnology. Applying ab initio method, we calculated the quantum conductance and the essential electronic properties of two lower diamondoids (adamantane and diamantane) and three of their important der…
Random silver nanohole films were created through colloidal lithography techniques and metal vapor deposition. The transparent electrodes were characterized by uv-visible spectroscopy and incorporated into an organic solar cell. The test cells were evaluated for solar power-conversion efficiency and incident photon-to…
The electroluminescence intensity of a silicon quantum dot (Si QD) light-emitting diode (LED) with an Ag layer containing Ag particles can be enhanced by 434% relative to a Si QD LED without an Ag layer. The large enhancement is attributed to an increase in radiative quantum efficiency as a result of coupling between…
Substantial progress on field effect transistors (FETs) consisting of semiconducting single wall carbon nanotubes (s-SWNTs) without detectable traces of metallic nanotubes and impurities is reported. Nearly perfect removal of metallic nanotubes is confirmed by optical absorption, Raman measurements, and electrical mea…
We investigate the changes in the infrared response due to charge carriers introduced by electrostatic doping of the correlated insulator vanadium dioxide (VO2) integrated in the architecture of the field effect transistor. Accumulation of holes at the VO2 interface with the gate dielectric leads to an increase in inf…
We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 and graphene. The charge transfer between paramagnetic molecules and a graphene layer as calculated with ab initio methods can crucially depe…
The influence of quadrupolar interactions on the structure of small clusters is investigated by adding a point quadrupole of variable strength to the Lennard-Jones potential. Competition arises between sheet-like arrangements of the particles, favoured by the quadrupoles, and compact structures, favoured by the isotro…
We introduce the ideal Gaussian glass-forming system as a model to describe the thermodynamics and dynamics of supercooled liquids on a local scale in terms of the properties of the potential energy landscape (PEL). The first ingredient is the Gaussian distribution of inherent structures, the second a specific relatio…
The magnetic properties of as-grown Ga1-xMnxAs have been investigated by the systematic measurements of temperature and magnetic field dependent soft x-ray magnetic circular dichroism (XMCD). The intrinsic XMCD intensity at high temperatures obeys the Curie-Weiss law, but a residual spin magnetic moment appears alread…
Recently, the existence and properties of unbounded cavity modes, resulting in extensive plastic deformation failure of two-dimensional sheets of amorphous media, were discussed in the context of the athermal Shear-Transformation-Zones (STZ) theory. These modes pertain to perfect circular symmetry of the cavity and th…
In this paper we report the structural and property (magnetic and electrical transport) measurements of nanocrystals of half-doped ${\text{La}}_{0.5}{\text{Ca}}_{0.5}{\text{MnO}}_{3}(\text{LCMO})$ synthesized by chemical route, having particle size down to an average diameter of 15 nm. It was observed that the size re…
Collagens are integral structural proteins in animal tissues and play key functional roles in cellular modulation. We sought to discover collagen model peptides (CMPs) that would form triple helices and self-assemble into supramolecular fibrils exhibiting collagen-like biological activity without preorganizing the pep…
The present work outlines a general optimization methodology for hybrid systems consisting of photovoltaic (PV) and thermoelectric (TE) modules. Exemplarily, hybrid systems with hydrogenated microcrystalline silicon, hydrogenated amorphous silicon, and bulk heterojunction polymer thin-film solar cell for different sol…
An advanced hydrogen storage material, with potential for on-board application, is readily prepared by mechanically milling a 1:1 ammonia borane/lithium hydride (AB/LiH) mixture. The material possesses a H capacity of around 10 wt %, higher than the 2015 DOE gravimetric H capacity target, and can rapidly release over…
Using numerical techniques and asymptotic expansions we obtain the phase diagram of a paradigmatic model of Coulomb-frustrated phase separation in systems with negative short-range compressibility. The transition from the homogeneous phase to the inhomogeneous phase is generically first order in isotropic three-dimens…
MBE-grown, 5 nm-thick annealed Ga0.95Mn0.05As films with Tc~90K demonstrate transition from metallic to insulating state below To~10K, where sheet resistances Rsh~h/e2 and both longitudinal Rxx and transverse Rxy components become comparable. Below metal-insulator transition we found giant anisotropic magnetoresistanc…
Raman and infrared transmission and reflectivity measurements were carried out at room temperature and high pressure (0--15 GPa) on ${\text{V}}_{1\ensuremath{-}x}{\text{Cr}}_{x}{\text{O}}_{2}$ compounds. Raman spectra were collected at ambient conditions on the $x=0.007$ and 0.025 materials, which are characterized by…
FeCo microspheres, self-assembled by Al2O3-coated FeCo nanocapsules, were prepared by means of the arc-discharge technique to investigate application in electromagnetic-wave absorption. For the FeCo microspheres, a reflection loss (RL) exceeding −20dB was obtained in the frequency range of 10.9–15.6GHz for an absorber…