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We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses input from molecular simulations, such as free energy profiles…
A modified model of metal-semiconductor contacts is applied to analyze the capacitance-voltage and current-voltage characteristics of metal-ferroelectric-metal structures. The ferroelectric polarization is considered as a sheet of surface…
Analysis of lithiation and delithiation kinetics in pulse-laser-deposited crystalline thin-film silicon (Si) electrodes is presented. Data from open-circuit relaxation experiments are used in conjunction with a model based on Tafel kinetics…
We use computationally simple neutral pseudo-atom (`average atom') one-center density functional theory (DFT) and standard N-center DFT-Molecular Dynamics simulations to elucidate liquid-liquid phase transitions (LPTs) in supercooled liquid…
The open circuit voltage to the state of charge (OCVSOC) characteristic is crucial for battery management systems. Using the OCV-SOC curve, the SOC and the battery capacity can be estimated in real-time. Accurate SOC and capacity…
We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…
We report that annealing in low-oxygen-partial-pressure (low-p$_{\rm O2}$) ambient is effective in reducing the interface state density (D$_{\rm IT}$) at a SiC (0001)/SiO$_{\rm 2}$ interface near the conduction band edge (E$_{\rm C}$) of…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
As transistor sizes reach the mesoscopic scale, the limitations of traditional methods in ensuring thermodynamic consistency have made power dissipation optimization in transistor amplifiers a critical challenge. Based on stochastic…
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…
We report fabrication and characteristics of an organic monolayer based Metal Oxide Semiconductor (MOS) device. In place of SiO2 oxide layer in the MOS configuration, we used 1H, 1H, 2H, 2H- perfluorooctyl trichlorosilane (FOTS)…
The electronic and lattice dynamical properties of compressed solid SiH$_{4}$ have been calculated in the pressure range up to 300 GPa with density functional theory. We find that structures having a layered network with eight-fold…
A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These calculations show that the SIC-LSD is able to describe valence…
A silicon-tungsten (Si-W) sampling calorimeter, consisting of 19 alternate layers of silicon pad detectors (individual pad area of 1~cm$^2$) and tungsten absorbers (each of one radiation length), has been constructed for measurement of…
Silicon is a promising anode material for next-generation lithium-ion batteries. However, the volume change and the voltage hysteresis during lithiation and delithiation are two substantial drawbacks to their lifetime and performance. We…
A family of interleaved current-fed high step-up dc-dc converters are introduced and analyzed here by combining a voltage multiplier (VM) and an active clamp circuit for high-voltage high-power applications. Low input currents and output…
We experimentally demonstrate a Si spin metal-oxide-semiconductor field-effect transistor (MOSFET) that exhibits a high on/off ratio of source-drain current and spin signals at room temperature. The spin channel is non-degenerate n-type Si,…
Macroscopic and robust supercurrents are observed by direct electron transport measurements on a silicon surface reconstruction with In adatoms (Si(111)-(R7xR3)-In). The superconducting transition manifests itself as an emergence of the…
The pressure dependence of the Born effective charge, dielectric constant and zone-center LO and TO phonons have been determined for $3C$-SiC by a linear response method based on the linearized augmented plane wave calculations within the…
This brief examines the behavior of DC circuits comprised of resistively interconnected constant power devices, as may arise in DC microgrids containing micro-sources and constant power loads. We derive a sufficient condition for all…