Using density functional theory (DFT) with the PBE0 density functional we investigated the role of surface dopants in the molecular and dissociative adsorption of O2 onto Al clusters of types Al50, Al50Alad, Al50X and Al49X, where X represents a dopant atom of the following elements Si, Mg, Cu, Sc, Zr, and Ti. Each dopant atom was placed on the Al(111) surface as an adatom or as a substitutiona...

It has been recently shown that manufacturing p-n-junctions, field-effect and bipolar transistors, thyristors in a multilayer structure by diffusion or ion implantation with the optimization of dopant and/or radiation defects leads to increase the sharpness of p-n-junctions (both single p-n-junctions and p-n-junctions framework their system). Due to the optimization, one can also obtain increas...

Variable-angle high-angle annular dark-field (HAADF) imaging in scanning transmission electron microscopy is developed for precise and accurate determination of three-dimensional (3D) dopant atom configurations. Gd-doped SrTiO3 films containing Sr columns containing zero, one, or two Gd dopant atoms are imaged in HAADF mode using two different collection angles. Variable-angle HAADF significant...

We investigate the dopant distribution and its influence on the oxygen ion conductivity of ceria doped with rare earth oxides by combining density functional theory and Monte Carlo simulations. We calculate the association energies of dopant pairs, oxygen vacancy pairs and between dopant ions and oxygen vacancies by means of DFT + U including finite size corrections. The cation coordination num...

Nanowires (NWs) have been extensively studied over the last few decades for both scientific interest and technological potential. Semiconductor NWs’ physical properties are profoundly dependent on their chemical composition and especially so on their dopant concentration, profiles and activity level. Controlling NWs axial and radial dopant profiles is, therefore, of utmost importance for NW-bas...

As the gate length of MOSFET devices shrinks down below 100 nm, the fluctuation of major devices parameter, namely, threshold voltage (VTH), subthreshold swing, drain current (ID) and subthreshold leakage current due to influences of processes variations becomes a serious problem. Random dopant fluctuation is one of the problems. In this work, we numerically examine the fluctuation effects of r...

The sensitive dependence of a semiconductor's electronic, optical and magnetic properties on dopants has provided an extensive range of tunable phenomena to explore and apply to devices. Recently it has become possible to move past the tunable properties of an ensemble of dopants to identify the effects of a solitary dopant on commercial device performance as well as locally on the fundamental ...

Background: Guided bone regeneration (GBR) using osteoconductive graft materials has been used for osseous defect healing. The aim of this translational research study was to design and test a critical size calvarial (CSD) model in rats, GBR with beta-tricalcium phosphate (beta-TCP), histology micro computed tomography (micro-CT) assessment.Methods: Female Wistar albino rats (n=10) weighing 300...

In the hospital environment, postoperative pain is a common occurrence that impairs patient recovery and rehabilitation lengthens hospitalization time. Racemic bupivacaine hydrochloride (CBV) Novabupi® (NBV) (S (-) 75% R (+) 25% hydrochloride) are two examples of local anesthetics used in management, latter being an alternative with less deleterious effects. present study, biodegradable implant...

BACKGROUND Brain atrophy studies often use FSL-BET (Brain Extraction Tool) as the first step of image processing. Default BET does not always give satisfactory results on 3DT1 MR images, which negatively impacts atrophy measurements. Finding the right alternative BET settings can be a difficult and time-consuming task, which can introduce unwanted variability. AIM To systematically analyze th...